(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide

C20H28N4O — CID 97005705

IUPAC(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C20H28N4O/c1-16-6-8-18(9-7-16)19-17(2)5-3-13-24(19)20(25)22-10-4-12-23-14-11-21-15-23/h6-9,11,14-15,17,19H,3-5,10,12-13H2,1-2H3,(H,22,25)/t17-,19-/m1/s1
InChIKeyGBCITEVTVQYJNI-IEBWSBKVSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds5

About (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide

(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 97005705) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID97005705
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C20H28N4O/c1-16-6-8-18(9-7-16)19-17(2)5-3-13-24(19)20(25)22-10-4-12-23-14-11-21-15-23/h6-9,11,14-15,17,19H,3-5,10,12-13H2,1-2H3,(H,22,25)/t17-,19-/m1/s1
InChIKeyGBCITEVTVQYJNI-IEBWSBKVSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4aR,7aS)-N-(3-imidazol-1-ylpropyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555636
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
tert-butyl 2-[(3-imidazol-1-ylpropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636861
1-(3-imidazol-1-ylpropyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 40506484
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571
N-(4-imidazol-1-ylbutyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55980807
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide (CID 97005705) is (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is GBCITEVTVQYJNI-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-6-8-18(9-7-16)19-17(2)5-3-13-24(19)20(25)22-10-4-12-23-14-11-21-15-23/h6-9,11,14-15,17,19H,3-5,10,12-13H2,1-2H3,(H,22,25)/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide?
(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97005705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).