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

C14H20BrN3O — CID 114380391

IUPAC1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyQZBRSZXASJVNNW-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.99
Rot. Bonds3

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

1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 114380391) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID114380391
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyQZBRSZXASJVNNW-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.99
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-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79582712
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 114478612
1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
5-bromo-2-[(4-ethylazepan-1-yl)methyl]aniline
CID 79713595
5-bromo-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79713383
1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
CID 82969745
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
5-bromo-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417884
1-[4-[(2-amino-4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 114380449

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 114380391) is 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2ccc(Br)cc2N)CC1.
What is the InChIKey of 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QZBRSZXASJVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17-14(19)10-4-6-18(7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114380391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).