prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate

C25H34N4O5 — CID 143229756

IUPACprop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C4O[C@H]43)C2)c(OC)c1
InChIInChI=1S/C25H34N4O5/c1-3-13-33-24(31)27-17-14-20(32-2)22(26-15-17)28-11-4-9-25(16-28)10-12-29(23-21(25)34-23)18-5-7-19(30)8-6-18/h1,14-15,18-19,21,23,30H,4-13,16H2,2H3,(H,27,31)/t18?,19?,21-,23?,25-/m1/s1
InChIKeyVRYCLTDXZKATBY-QCRIMWCCSA-N
MW470.57 g/mol
LogP2.59
Rot. Bonds5

About prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate

prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate (PubChem CID 143229756) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate
PubChem CID143229756
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Nameprop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C4O[C@H]43)C2)c(OC)c1
InChIInChI=1S/C25H34N4O5/c1-3-13-33-24(31)27-17-14-20(32-2)22(26-15-17)28-11-4-9-25(16-28)10-12-29(23-21(25)34-23)18-5-7-19(30)8-6-18/h1,14-15,18-19,21,23,30H,4-13,16H2,2H3,(H,27,31)/t18?,19?,21-,23?,25-/m1/s1
InChIKeyVRYCLTDXZKATBY-QCRIMWCCSA-N
XLogP2.59
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
CID 76677750
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid
CID 87124975
prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 534180
[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
CID 67503941
3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one
CID 143229416
[5-chloro-6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]carbamic acid
CID 68750031
[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate
CID 143520516
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] N-prop-2-ynylcarbamate
CID 91353467
ethyl N-[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
CID 76677787
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate
CID 90720919
[1-[3-methyl-5-(propan-2-yloxycarbonylamino)-2-pyridinyl]piperidin-3-yl] (5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 143520512
2-methylpropyl N-[3-cyano-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]carbamate
CID 77403690

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate?
The IUPAC name of prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate (CID 143229756) is prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate is C#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C4O[C@H]43)C2)c(OC)c1.
What is the InChIKey of prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate?
The InChIKey is VRYCLTDXZKATBY-QCRIMWCCSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-3-13-33-24(31)27-17-14-20(32-2)22(26-15-17)28-11-4-9-25(16-28)10-12-29(23-21(25)34-23)18-5-7-19(30)8-6-18/h1,14-15,18-19,21,23,30H,4-13,16H2,2H3,(H,27,31)/t18?,19?,21-,23?,25-/m1/s1.
What are the key properties of prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate?
prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[6-[(5R,6S)-2-(4-hydroxycyclohexyl)spiro[7-oxa-2-azabicyclo[4.1.0]heptane-5,3'-piperidine]-1'-yl]-5-methoxy-3-pyridinyl]carbamate is sourced from PubChem (CID 143229756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).