1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C24H29N3O2 — CID 120742427

IUPAC1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESNC[C@@H]1CN(C(=O)C(c2ccccc2)N2CCCCC2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C24H29N3O2/c25-15-20-16-26(17-21(20)18-9-3-1-4-10-18)24(29)23(19-11-5-2-6-12-19)27-14-8-7-13-22(27)28/h1-6,9-12,20-21,23H,7-8,13-17,25H2/t20-,21+,23?/m1/s1
InChIKeySNHUBDVTVJELBK-VXVSGHKGSA-N
MW391.52 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 120742427) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID120742427
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESNC[C@@H]1CN(C(=O)C(c2ccccc2)N2CCCCC2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C24H29N3O2/c25-15-20-16-26(17-21(20)18-9-3-1-4-10-18)24(29)23(19-11-5-2-6-12-19)27-14-8-7-13-22(27)28/h1-6,9-12,20-21,23H,7-8,13-17,25H2/t20-,21+,23?/m1/s1
InChIKeySNHUBDVTVJELBK-VXVSGHKGSA-N
XLogP2.94
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 120743124
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 120745319
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one;hydrochloride
CID 120746010
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 120742291
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
CID 120741892
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
2-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone
CID 120744350
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 120758563

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 120742427) is 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is NC[C@@H]1CN(C(=O)C(c2ccccc2)N2CCCCC2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is SNHUBDVTVJELBK-VXVSGHKGSA-N. The full InChI is InChI=1S/C24H29N3O2/c25-15-20-16-26(17-21(20)18-9-3-1-4-10-18)24(29)23(19-11-5-2-6-12-19)27-14-8-7-13-22(27)28/h1-6,9-12,20-21,23H,7-8,13-17,25H2/t20-,21+,23?/m1/s1.
What are the key properties of 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 120742427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).