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

C14H20ClN3O — CID 54985656

IUPAC1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)13-4-2-3-7-18(13)9-10-8-11(16)5-6-12(10)15/h5-6,8,13H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyNPFXVXWJHBBZCY-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.02
Rot. Bonds3

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

1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 54985656) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID54985656
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)13-4-2-3-7-18(13)9-10-8-11(16)5-6-12(10)15/h5-6,8,13H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyNPFXVXWJHBBZCY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95299069
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 54985656) is 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(N)ccc1Cl.
What is the InChIKey of 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is NPFXVXWJHBBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-14(19)13-4-2-3-7-18(13)9-10-8-11(16)5-6-12(10)15/h5-6,8,13H,2-4,7,9,16H2,1H3,(H,17,19).
What are the key properties of 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54985656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).