(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide

C22H28N4O2 — CID 155881522

IUPAC(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-20-13-21(22(28)24-18-7-4-10-23-14-18)26(16-20)19-8-11-25(12-9-19)15-17-5-2-1-3-6-17/h1-7,10,14,19-21,27H,8-9,11-13,15-16H2,(H,24,28)/t20-,21+/m1/s1
InChIKeyULEGQQAEBODHND-RTWAWAEBSA-N
MW380.49 g/mol
LogP2.12
Rot. Bonds5

About (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 155881522) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID155881522
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-20-13-21(22(28)24-18-7-4-10-23-14-18)26(16-20)19-8-11-25(12-9-19)15-17-5-2-1-3-6-17/h1-7,10,14,19-21,27H,8-9,11-13,15-16H2,(H,24,28)/t20-,21+/m1/s1
InChIKeyULEGQQAEBODHND-RTWAWAEBSA-N
XLogP2.12
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
CID 155881903
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 155881904
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 155881908
(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155880932
[(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxypyrrolidin-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 163336543
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163337313
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
(2S,4R)-1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881009
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
(2R,3aS,7aR)-N-pyridin-3-yl-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155824288

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 155881522) is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is ULEGQQAEBODHND-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-20-13-21(22(28)24-18-7-4-10-23-14-18)26(16-20)19-8-11-25(12-9-19)15-17-5-2-1-3-6-17/h1-7,10,14,19-21,27H,8-9,11-13,15-16H2,(H,24,28)/t20-,21+/m1/s1.
What are the key properties of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide?
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155881522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).