(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C24H30N4O3 — CID 51593241

IUPAC(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CCc2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1
InChIInChI=1S/C24H30N4O3/c1-16-2-3-21-20(12-16)23(31-26-21)18-6-10-27(11-7-18)24(30)19-13-22(29)28(15-19)14-17-4-8-25-9-5-17/h4-5,8-9,16,18-19H,2-3,6-7,10-15H2,1H3/t16-,19-/m1/s1
InChIKeyFYDRMIKPTZTDCC-VQIMIIECSA-N
MW422.53 g/mol
LogP2.95
Rot. Bonds4

About (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 51593241) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID51593241
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CCc2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1
InChIInChI=1S/C24H30N4O3/c1-16-2-3-21-20(12-16)23(31-26-21)18-6-10-27(11-7-18)24(30)19-13-22(29)28(15-19)14-17-4-8-25-9-5-17/h4-5,8-9,16,18-19H,2-3,6-7,10-15H2,1H3/t16-,19-/m1/s1
InChIKeyFYDRMIKPTZTDCC-VQIMIIECSA-N
XLogP2.95
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97281518
4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 131921234
[(1S,3R)-3-methoxycyclohexyl]-[4-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidin-1-yl]methanone
CID 124909795
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 113184102
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
4-(4-phenylpiperidine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 143724939
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 51593241) is (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is C[C@@H]1CCc2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1.
What is the InChIKey of (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is FYDRMIKPTZTDCC-VQIMIIECSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-2-3-21-20(12-16)23(31-26-21)18-6-10-27(11-7-18)24(30)19-13-22(29)28(15-19)14-17-4-8-25-9-5-17/h4-5,8-9,16,18-19H,2-3,6-7,10-15H2,1H3/t16-,19-/m1/s1.
What are the key properties of (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 51593241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).