2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide

C19H27N5O3 — CID 97455360

IUPAC2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESC[C@H]1CCC(=O)N1c1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C19H27N5O3/c1-13-5-6-18(26)24(13)16-4-2-3-15(11-16)22-19(27)21-14-7-9-23(10-8-14)12-17(20)25/h2-4,11,13-14H,5-10,12H2,1H3,(H2,20,25)(H2,21,22,27)/t13-/m0/s1
InChIKeyWKFGPTARPYLYNP-ZDUSSCGKSA-N
MW373.46 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide

2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 97455360) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
PubChem CID97455360
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESC[C@H]1CCC(=O)N1c1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C19H27N5O3/c1-13-5-6-18(26)24(13)16-4-2-3-15(11-16)22-19(27)21-14-7-9-23(10-8-14)12-17(20)25/h2-4,11,13-14H,5-10,12H2,1H3,(H2,20,25)(H2,21,22,27)/t13-/m0/s1
InChIKeyWKFGPTARPYLYNP-ZDUSSCGKSA-N
XLogP1.27
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide
CID 74232170
1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56827020
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]urea
CID 97434234
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
1-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118772205

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide (CID 97455360) is 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide is C[C@H]1CCC(=O)N1c1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is WKFGPTARPYLYNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-5-6-18(26)24(13)16-4-2-3-15(11-16)22-19(27)21-14-7-9-23(10-8-14)12-17(20)25/h2-4,11,13-14H,5-10,12H2,1H3,(H2,20,25)(H2,21,22,27)/t13-/m0/s1.
What are the key properties of 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide?
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 97455360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).