[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate

C24H30ClN3O4 — CID 91614511

IUPAC[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O4/c1-2-12-26-23(31)32-19-8-9-21(20(25)15-19)27-13-3-10-24(16-27)11-14-28(22(24)30)17-4-6-18(29)7-5-17/h1,8-9,15,17-18,29H,3-7,10-14,16H2,(H,26,31)/t17?,18?,24-/m1/s1
InChIKeySYXHXUAOVRXDJC-YOHDVBOVSA-N
MW459.97 g/mol
LogP3.18
Rot. Bonds4

About [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate

[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate (PubChem CID 91614511) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate.

Molecular Properties

Compound Name[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate
PubChem CID91614511
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O4/c1-2-12-26-23(31)32-19-8-9-21(20(25)15-19)27-13-3-10-24(16-27)11-14-28(22(24)30)17-4-6-18(29)7-5-17/h1,8-9,15,17-18,29H,3-7,10-14,16H2,(H,26,31)/t17?,18?,24-/m1/s1
InChIKeySYXHXUAOVRXDJC-YOHDVBOVSA-N
XLogP3.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate with MolForge

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Related Compounds

[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] N-prop-2-ynylcarbamate
CID 91353467
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl] N-methylcarbamate
CID 91531515
ethyl N-[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
CID 76677787
[5-chloro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl] N-propylcarbamate
CID 90747652
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl] N-ethylcarbamate
CID 91017405
(5R)-9-(3-chloro-6-prop-2-ynyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174898
[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
CID 142689608
9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722375
[4-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl]-prop-2-ynylcarbamic acid
CID 87124882
prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate
CID 58653319
N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide
CID 58653426
(5S)-9-(4-amino-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722729

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate?
The IUPAC name of [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate (CID 91614511) is [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate.
What is the SMILES notation for [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate?
The canonical SMILES for [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate is C#CCNC(=O)Oc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate?
The InChIKey is SYXHXUAOVRXDJC-YOHDVBOVSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c1-2-12-26-23(31)32-19-8-9-21(20(25)15-19)27-13-3-10-24(16-27)11-14-28(22(24)30)17-4-6-18(29)7-5-17/h1,8-9,15,17-18,29H,3-7,10-14,16H2,(H,26,31)/t17?,18?,24-/m1/s1.
What are the key properties of [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate?
[3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate has a molecular weight of 459.97 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl] N-prop-2-ynylcarbamate is sourced from PubChem (CID 91614511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).