N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C20H28N4O — CID 43925980

IUPACN-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)NCCCn3ccnc3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-17-5-7-18(8-6-17)14-24-11-2-4-19(15-24)20(25)22-9-3-12-23-13-10-21-16-23/h5-8,10,13,16,19H,2-4,9,11-12,14-15H2,1H3,(H,22,25)
InChIKeyHKUSYWHAKAAFHS-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.61
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43925980) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43925980
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)NCCCn3ccnc3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-17-5-7-18(8-6-17)14-24-11-2-4-19(15-24)20(25)22-9-3-12-23-13-10-21-16-23/h5-8,10,13,16,19H,2-4,9,11-12,14-15H2,1H3,(H,22,25)
InChIKeyHKUSYWHAKAAFHS-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.61
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-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43925987
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43933847
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
N-(4-imidazol-1-ylbutyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55980807
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917353

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 43925980) is N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)NCCCn3ccnc3)C2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HKUSYWHAKAAFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-17-5-7-18(8-6-17)14-24-11-2-4-19(15-24)20(25)22-9-3-12-23-13-10-21-16-23/h5-8,10,13,16,19H,2-4,9,11-12,14-15H2,1H3,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).