(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide

C19H25N3O3 — CID 9266562

IUPAC(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-13(14-6-3-2-4-7-14)22-12-16(10-17(22)23)19(25)21-9-5-8-15(11-21)18(20)24/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H2,20,24)/t13-,15-,16-/m0/s1
InChIKeyCWYMQBSTEBHBJV-BPUTZDHNSA-N
MW343.43 g/mol
LogP1.32
Rot. Bonds4

About (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide

(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 9266562) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID9266562
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-13(14-6-3-2-4-7-14)22-12-16(10-17(22)23)19(25)21-9-5-8-15(11-21)18(20)24/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H2,20,24)/t13-,15-,16-/m0/s1
InChIKeyCWYMQBSTEBHBJV-BPUTZDHNSA-N
XLogP1.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125133832

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide (CID 9266562) is (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide is C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O.
What is the InChIKey of (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is CWYMQBSTEBHBJV-BPUTZDHNSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(14-6-3-2-4-7-14)22-12-16(10-17(22)23)19(25)21-9-5-8-15(11-21)18(20)24/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H2,20,24)/t13-,15-,16-/m0/s1.
What are the key properties of (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 9266562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).