trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide

C15H18N2O2 — CID 158144614

IUPACtrans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1ccc(CCNC(=O)[C@H]2CC[C@H](O)C2)cc1
InChIInChI=1S/C15H18N2O2/c16-10-12-3-1-11(2-4-12)7-8-17-15(19)13-5-6-14(18)9-13/h1-4,13-14,18H,5-9H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyKAWWKKXZUFDGDY-KBPBESRZSA-N
MW258.32 g/mol
LogP1.38
Rot. Bonds4

About trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide

trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide (PubChem CID 158144614) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
PubChem CID158144614
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametrans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1ccc(CCNC(=O)[C@H]2CC[C@H](O)C2)cc1
InChIInChI=1S/C15H18N2O2/c16-10-12-3-1-11(2-4-12)7-8-17-15(19)13-5-6-14(18)9-13/h1-4,13-14,18H,5-9H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyKAWWKKXZUFDGDY-KBPBESRZSA-N
XLogP1.38
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide (CID 158144614) is trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide is N#Cc1ccc(CCNC(=O)[C@H]2CC[C@H](O)C2)cc1.
What is the InChIKey of trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide?
The InChIKey is KAWWKKXZUFDGDY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-12-3-1-11(2-4-12)7-8-17-15(19)13-5-6-14(18)9-13/h1-4,13-14,18H,5-9H2,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide?
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 158144614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).