N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide

C23H36N4O3 — CID 51122331

IUPACN,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide
SMILESCC(C)CC(NC(=O)NC(C(=O)N1CCC(C)CC1)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C23H36N4O3/c1-16(2)15-19(21(28)26(4)5)24-23(30)25-20(18-9-7-6-8-10-18)22(29)27-13-11-17(3)12-14-27/h6-10,16-17,19-20H,11-15H2,1-5H3,(H2,24,25,30)
InChIKeyVSQSQKFZSNPRIC-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.79
Rot. Bonds7

About N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide

N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide (PubChem CID 51122331) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide
PubChem CID51122331
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide
SMILESCC(C)CC(NC(=O)NC(C(=O)N1CCC(C)CC1)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C23H36N4O3/c1-16(2)15-19(21(28)26(4)5)24-23(30)25-20(18-9-7-6-8-10-18)22(29)27-13-11-17(3)12-14-27/h6-10,16-17,19-20H,11-15H2,1-5H3,(H2,24,25,30)
InChIKeyVSQSQKFZSNPRIC-UHFFFAOYSA-N
XLogP2.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide 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

1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea
CID 52525109
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
1-[(1S)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 11364250
(3S)-3-[(dimethylamino)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 99625620
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N,N,4-trimethyl-2-[(4-methylcycloheptyl)amino]pentanamide
CID 65080591
(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 166782041
(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
CID 52513480
(4S)-N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-4-methylazepane-1-carboxamide
CID 97023611
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
2-(dimethylamino)-N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
CID 134270265

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide (CID 51122331) is N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide is CC(C)CC(NC(=O)NC(C(=O)N1CCC(C)CC1)c1ccccc1)C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide?
The InChIKey is VSQSQKFZSNPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-16(2)15-19(21(28)26(4)5)24-23(30)25-20(18-9-7-6-8-10-18)22(29)27-13-11-17(3)12-14-27/h6-10,16-17,19-20H,11-15H2,1-5H3,(H2,24,25,30).
What are the key properties of N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide?
N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide has a molecular weight of 416.57 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide is sourced from PubChem (CID 51122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).