1-[(4-bromophenyl)methyl]piperidine-4-carboxamide

C13H17BrN2O — CID 783332

IUPAC1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17)
InChIKeyMPRPSDRRQDOFBM-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.15
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide

1-[(4-bromophenyl)methyl]piperidine-4-carboxamide (PubChem CID 783332) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
PubChem CID783332
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17)
InChIKeyMPRPSDRRQDOFBM-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
3-[4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909265
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28566601
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide (CID 783332) is 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MPRPSDRRQDOFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17).
What are the key properties of 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 783332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).