N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide

C23H29ClN4O2 — CID 52998743

IUPACN-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-27(2)21-8-6-18(7-9-21)16-25-22(29)14-17-10-12-28(13-11-17)23(30)26-20-5-3-4-19(24)15-20/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyIYZFAIQHGPYFTC-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.36
Rot. Bonds6

About N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 52998743) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID52998743
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-27(2)21-8-6-18(7-9-21)16-25-22(29)14-17-10-12-28(13-11-17)23(30)26-20-5-3-4-19(24)15-20/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyIYZFAIQHGPYFTC-UHFFFAOYSA-N
XLogP4.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 52998749
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
N-(3-chlorophenyl)-4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carboxamide
CID 93071875
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998732
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-[2-[2-(2,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998745
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 52998743) is N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide is CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is IYZFAIQHGPYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-27(2)21-8-6-18(7-9-21)16-25-22(29)14-17-10-12-28(13-11-17)23(30)26-20-5-3-4-19(24)15-20/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 52998743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).