1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide

C16H24ClN3O — CID 103196369

IUPAC1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(C)NC)cc2Cl)C1
InChIInChI=1S/C16H24ClN3O/c1-11(18-2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(21)19-3/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeyZEXKLTQLRPFUGM-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide

1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196369) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196369
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C(C)NC)cc2Cl)C1
InChIInChI=1S/C16H24ClN3O/c1-11(18-2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(21)19-3/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeyZEXKLTQLRPFUGM-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]-N-methylethanamine
CID 65280960
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 55131292

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide (CID 103196369) is 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(C(C)NC)cc2Cl)C1.
What is the InChIKey of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZEXKLTQLRPFUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(18-2)12-6-7-15(14(17)9-12)20-8-4-5-13(10-20)16(21)19-3/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21).
What are the key properties of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide?
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).