(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide

C20H31N3O2 — CID 155509004

IUPAC(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCC2CCN(Cc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C20H31N3O2/c21-18-12-17(13-19(18)24)20(25)22-9-6-15-7-10-23(11-8-15)14-16-4-2-1-3-5-16/h1-5,15,17-19,24H,6-14,21H2,(H,22,25)/t17-,18+,19+/m0/s1
InChIKeyPQCXACGXBSWNMO-IPMKNSEASA-N
MW345.49 g/mol
LogP1.50
Rot. Bonds6

About (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 155509004) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID155509004
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCC2CCN(Cc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C20H31N3O2/c21-18-12-17(13-19(18)24)20(25)22-9-6-15-7-10-23(11-8-15)14-16-4-2-1-3-5-16/h1-5,15,17-19,24H,6-14,21H2,(H,22,25)/t17-,18+,19+/m0/s1
InChIKeyPQCXACGXBSWNMO-IPMKNSEASA-N
XLogP1.50
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165420728
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105487
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
(1S,3R,4R)-3-amino-4-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 155502884
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
1-benzylpiperidine-4-carbonyl chloride
CID 18919767

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide (CID 155509004) is (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide is N[C@@H]1C[C@H](C(=O)NCCC2CCN(Cc3ccccc3)CC2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is PQCXACGXBSWNMO-IPMKNSEASA-N. The full InChI is InChI=1S/C20H31N3O2/c21-18-12-17(13-19(18)24)20(25)22-9-6-15-7-10-23(11-8-15)14-16-4-2-1-3-5-16/h1-5,15,17-19,24H,6-14,21H2,(H,22,25)/t17-,18+,19+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 155509004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).