N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide

C13H22N4O — CID 74237071

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-13(4-7-17(2)8-5-13)12(18)15-6-3-11-9-14-10-16-11/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,18)
InChIKeySFDKKWWIOKKCLQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide (PubChem CID 74237071) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
PubChem CID74237071
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-13(4-7-17(2)8-5-13)12(18)15-6-3-11-9-14-10-16-11/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,18)
InChIKeySFDKKWWIOKKCLQ-UHFFFAOYSA-N
XLogP0.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65232052
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(1H-imidazol-5-yl)ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241368
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea
CID 119067574
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 65232024
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide (CID 74237071) is N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide is CN1CCC(C)(C(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide?
The InChIKey is SFDKKWWIOKKCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(4-7-17(2)8-5-13)12(18)15-6-3-11-9-14-10-16-11/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 74237071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).