(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

C17H24ClN3O2 — CID 124701668

IUPAC(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H24ClN3O2/c18-13-3-1-12(2-4-13)11-21-7-5-14(6-8-21)20-17(23)16-9-15(22)10-19-16/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t15-,16-/m1/s1
InChIKeyKHQKJWXSUFNRHB-HZPDHXFCSA-N
MW337.85 g/mol
LogP1.14
Rot. Bonds4

About (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124701668) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124701668
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H24ClN3O2/c18-13-3-1-12(2-4-13)11-21-7-5-14(6-8-21)20-17(23)16-9-15(22)10-19-16/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t15-,16-/m1/s1
InChIKeyKHQKJWXSUFNRHB-HZPDHXFCSA-N
XLogP1.14
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321
4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
(3S)-N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93059092
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 124701668) is (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KHQKJWXSUFNRHB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-13-3-1-12(2-4-13)11-21-7-5-14(6-8-21)20-17(23)16-9-15(22)10-19-16/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124701668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).