[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid

C24H27N3O3 — CID 146240779

IUPAC[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESN#Cc1ccccc1OC1CC(c2ccccc2)CC1N(C(=O)O)[C@@H]1CCCNC1
InChIInChI=1S/C24H27N3O3/c25-15-18-9-4-5-11-22(18)30-23-14-19(17-7-2-1-3-8-17)13-21(23)27(24(28)29)20-10-6-12-26-16-20/h1-5,7-9,11,19-21,23,26H,6,10,12-14,16H2,(H,28,29)/t19?,20-,21?,23?/m1/s1
InChIKeyLGNGOFMSLPBQLS-USFSBILMSA-N
MW405.50 g/mol
LogP3.98
Rot. Bonds5

About [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid

[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 146240779) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID146240779
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESN#Cc1ccccc1OC1CC(c2ccccc2)CC1N(C(=O)O)[C@@H]1CCCNC1
InChIInChI=1S/C24H27N3O3/c25-15-18-9-4-5-11-22(18)30-23-14-19(17-7-2-1-3-8-17)13-21(23)27(24(28)29)20-10-6-12-26-16-20/h1-5,7-9,11,19-21,23,26H,6,10,12-14,16H2,(H,28,29)/t19?,20-,21?,23?/m1/s1
InChIKeyLGNGOFMSLPBQLS-USFSBILMSA-N
XLogP3.98
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175431158
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
2-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166758461
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
2-(3-aminocyclohexyl)oxybenzonitrile
CID 79465738
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
5-fluoro-2-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 66248002
piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate
CID 146240953
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
CID 54592821

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (CID 146240779) is [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is N#Cc1ccccc1OC1CC(c2ccccc2)CC1N(C(=O)O)[C@@H]1CCCNC1.
What is the InChIKey of [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is LGNGOFMSLPBQLS-USFSBILMSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-15-18-9-4-5-11-22(18)30-23-14-19(17-7-2-1-3-8-17)13-21(23)27(24(28)29)20-10-6-12-26-16-20/h1-5,7-9,11,19-21,23,26H,6,10,12-14,16H2,(H,28,29)/t19?,20-,21?,23?/m1/s1.
What are the key properties of [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
[2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 405.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanophenoxy)-4-phenylcyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 146240779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).