1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

C19H25BrN4O — CID 43925987

IUPAC1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H25BrN4O/c20-18-6-1-4-16(12-18)13-24-9-2-5-17(14-24)19(25)22-7-3-10-23-11-8-21-15-23/h1,4,6,8,11-12,15,17H,2-3,5,7,9-10,13-14H2,(H,22,25)
InChIKeyJTRPKPVHOIIVHC-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.06
Rot. Bonds7

About 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 43925987) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID43925987
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H25BrN4O/c20-18-6-1-4-16(12-18)13-24-9-2-5-17(14-24)19(25)22-7-3-10-23-11-8-21-15-23/h1,4,6,8,11-12,15,17H,2-3,5,7,9-10,13-14H2,(H,22,25)
InChIKeyJTRPKPVHOIIVHC-UHFFFAOYSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
1-[(3-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924508
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43933847
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917325

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (CID 43925987) is 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1ccnc1)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is JTRPKPVHOIIVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c20-18-6-1-4-16(12-18)13-24-9-2-5-17(14-24)19(25)22-7-3-10-23-11-8-21-15-23/h1,4,6,8,11-12,15,17H,2-3,5,7,9-10,13-14H2,(H,22,25).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43925987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).