(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide

C23H29N3O2 — CID 155881903

IUPAC(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-21-15-22(23(28)24-19-9-5-2-6-10-19)26(17-21)20-11-13-25(14-12-20)16-18-7-3-1-4-8-18/h1-10,20-22,27H,11-17H2,(H,24,28)/t21-,22+/m1/s1
InChIKeyMKONXMDNZMAXCH-YADHBBJMSA-N
MW379.50 g/mol
LogP2.72
Rot. Bonds5

About (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide (PubChem CID 155881903) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
PubChem CID155881903
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-21-15-22(23(28)24-19-9-5-2-6-10-19)26(17-21)20-11-13-25(14-12-20)16-18-7-3-1-4-8-18/h1-10,20-22,27H,11-17H2,(H,24,28)/t21-,22+/m1/s1
InChIKeyMKONXMDNZMAXCH-YADHBBJMSA-N
XLogP2.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 155881522
(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-benzylpiperidin-4-yl)-4-hydroxypyrrolidin-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 163336543
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163337313
methyl (2S,4R)-4-amino-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 141357307
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765
(1S,5S,6S)-3-benzyl-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780108
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
1-benzylpiperidine-4-carbonyl chloride
CID 18919767

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide (CID 155881903) is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is MKONXMDNZMAXCH-YADHBBJMSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-15-22(23(28)24-19-9-5-2-6-10-19)26(17-21)20-11-13-25(14-12-20)16-18-7-3-1-4-8-18/h1-10,20-22,27H,11-17H2,(H,24,28)/t21-,22+/m1/s1.
What are the key properties of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide?
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).