1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

C14H20ClN3O — CID 79582712

IUPAC1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyNNERZUDJFJQQTF-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 79582712) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID79582712
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyNNERZUDJFJQQTF-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
4-chloro-2-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582875
4-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79582865
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 114478612
1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
CID 100611651
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100569696
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
CID 79582464
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 79582712) is 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc(Cl)ccc2N)CC1.
What is the InChIKey of 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is NNERZUDJFJQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 79582712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).