N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C30H35N3O2 — CID 26277274

IUPACN-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C30H35N3O2/c34-28(31-26-13-7-19-33(22-26)21-23-8-2-1-3-9-23)15-17-30(18-16-29(35)32-30)20-25-12-6-11-24-10-4-5-14-27(24)25/h1-6,8-12,14,26H,7,13,15-22H2,(H,31,34)(H,32,35)/t26-,30+/m0/s1
InChIKeyCFMHPEIECOBCCU-FREGXXQWSA-N
MW469.63 g/mol
LogP4.59
Rot. Bonds8

About N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 26277274) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID26277274
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C30H35N3O2/c34-28(31-26-13-7-19-33(22-26)21-23-8-2-1-3-9-23)15-17-30(18-16-29(35)32-30)20-25-12-6-11-24-10-4-5-14-27(24)25/h1-6,8-12,14,26H,7,13,15-22H2,(H,31,34)(H,32,35)/t26-,30+/m0/s1
InChIKeyCFMHPEIECOBCCU-FREGXXQWSA-N
XLogP4.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60756097
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5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
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N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 119856028
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-[(2R)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42319174
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 42407319
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 26277274) is N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)N[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is CFMHPEIECOBCCU-FREGXXQWSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-28(31-26-13-7-19-33(22-26)21-23-8-2-1-3-9-23)15-17-30(18-16-29(35)32-30)20-25-12-6-11-24-10-4-5-14-27(24)25/h1-6,8-12,14,26H,7,13,15-22H2,(H,31,34)(H,32,35)/t26-,30+/m0/s1.
What are the key properties of N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 469.63 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 26277274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).