1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide

C15H22ClN3O — CID 103196348

IUPAC1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-10(17)11-5-6-14(13(16)8-11)19-7-3-4-12(9-19)15(20)18-2/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20)/t10-,12?/m1/s1
InChIKeyBBTCATQYVNYDNC-RWANSRKNSA-N
MW295.81 g/mol
LogP2.32
Rot. Bonds3

About 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide

1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196348) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196348
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-10(17)11-5-6-14(13(16)8-11)19-7-3-4-12(9-19)15(20)18-2/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20)/t10-,12?/m1/s1
InChIKeyBBTCATQYVNYDNC-RWANSRKNSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide (CID 103196348) is 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc([C@@H](C)N)cc2Cl)C1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is BBTCATQYVNYDNC-RWANSRKNSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(17)11-5-6-14(13(16)8-11)19-7-3-4-12(9-19)15(20)18-2/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,18,20)/t10-,12?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide?
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).