(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C20H29N3O3 — CID 95769502

IUPAC(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-20(26,17-9-3-2-4-10-17)15-21-18(24)16-8-7-13-23(14-16)19(25)22-11-5-6-12-22/h2-4,9-10,16,26H,5-8,11-15H2,1H3,(H,21,24)/t16-,20+/m0/s1
InChIKeyZMDMNMDMAXMNPM-OXJNMPFZSA-N
MW359.47 g/mol
LogP1.94
Rot. Bonds4

About (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 95769502) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID95769502
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-20(26,17-9-3-2-4-10-17)15-21-18(24)16-8-7-13-23(14-16)19(25)22-11-5-6-12-22/h2-4,9-10,16,26H,5-8,11-15H2,1H3,(H,21,24)/t16-,20+/m0/s1
InChIKeyZMDMNMDMAXMNPM-OXJNMPFZSA-N
XLogP1.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119202118
N-[2-hydroxy-2-(4-phenylphenyl)propyl]cyclohexanecarboxamide
CID 90497506
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 95769502) is (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is C[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1.
What is the InChIKey of (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZMDMNMDMAXMNPM-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(26,17-9-3-2-4-10-17)15-21-18(24)16-8-7-13-23(14-16)19(25)22-11-5-6-12-22/h2-4,9-10,16,26H,5-8,11-15H2,1H3,(H,21,24)/t16-,20+/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95769502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).