[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate

C22H36N2O3 — CID 101362582

IUPAC[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
SMILESCCCCCCCOc1ccc(NC(=O)O[C@H](C)CN2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3/c1-3-4-5-6-10-17-26-21-13-11-20(12-14-21)23-22(25)27-19(2)18-24-15-8-7-9-16-24/h11-14,19H,3-10,15-18H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyDWCVBUZBVDETIW-LJQANCHMSA-N
MW376.54 g/mol
LogP5.46
Rot. Bonds11

About [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate

[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate (PubChem CID 101362582) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
PubChem CID101362582
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
SMILESCCCCCCCOc1ccc(NC(=O)O[C@H](C)CN2CCCCC2)cc1
InChIInChI=1S/C22H36N2O3/c1-3-4-5-6-10-17-26-21-13-11-20(12-14-21)23-22(25)27-19(2)18-24-15-8-7-9-16-24/h11-14,19H,3-10,15-18H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyDWCVBUZBVDETIW-LJQANCHMSA-N
XLogP5.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate
CID 102023040
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
1-piperidin-1-ylpropan-2-yl N-(2-hexoxyphenyl)carbamate;hydrochloride
CID 10250309
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
1,3-di(piperidin-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate
CID 3087334
1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride
CID 138399577
(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
CID 24836354
(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-hexoxyphenyl)carbamate
CID 3072629
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
[4-[[4-(butan-2-yloxycarbonylamino)phenyl]carbamoylamino]phenyl] 4-dodecoxybenzoate
CID 45256954
[(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 138399374
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate?
The IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate (CID 101362582) is [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate.
What is the SMILES notation for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate?
The canonical SMILES for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate is CCCCCCCOc1ccc(NC(=O)O[C@H](C)CN2CCCCC2)cc1.
What is the InChIKey of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate?
The InChIKey is DWCVBUZBVDETIW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-3-4-5-6-10-17-26-21-13-11-20(12-14-21)23-22(25)27-19(2)18-24-15-8-7-9-16-24/h11-14,19H,3-10,15-18H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate?
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate has a molecular weight of 376.54 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate is sourced from PubChem (CID 101362582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).