(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

C18H28N4O2 — CID 95598565

IUPAC(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C18H28N4O2/c1-13(15-7-5-8-16(11-15)20-14(2)23)19-18(24)22-10-6-9-17(12-22)21(3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3,(H,19,24)(H,20,23)/t13-,17-/m1/s1
InChIKeyFCRHAYGFOCGTJD-CXAGYDPISA-N
MW332.45 g/mol
LogP2.44
Rot. Bonds4

About (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (PubChem CID 95598565) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
PubChem CID95598565
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C18H28N4O2/c1-13(15-7-5-8-16(11-15)20-14(2)23)19-18(24)22-10-6-9-17(12-22)21(3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3,(H,19,24)(H,20,23)/t13-,17-/m1/s1
InChIKeyFCRHAYGFOCGTJD-CXAGYDPISA-N
XLogP2.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide 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

(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (CID 95598565) is (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)c1.
What is the InChIKey of (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The InChIKey is FCRHAYGFOCGTJD-CXAGYDPISA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(15-7-5-8-16(11-15)20-14(2)23)19-18(24)22-10-6-9-17(12-22)21(3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3,(H,19,24)(H,20,23)/t13-,17-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 95598565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).