4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C17H27N5O2 — CID 71917763

IUPAC4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)N2CCC(n3ccnc3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-13(2)16(23)21-7-3-14(11-21)19-17(24)20-8-4-15(5-9-20)22-10-6-18-12-22/h6,10,12-15H,3-5,7-9,11H2,1-2H3,(H,19,24)
InChIKeyVXJLTZHJHJUQCX-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.49
Rot. Bonds3

About 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 71917763) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID71917763
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)N2CCC(n3ccnc3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-13(2)16(23)21-7-3-14(11-21)19-17(24)20-8-4-15(5-9-20)22-10-6-18-12-22/h6,10,12-15H,3-5,7-9,11H2,1-2H3,(H,19,24)
InChIKeyVXJLTZHJHJUQCX-UHFFFAOYSA-N
XLogP1.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 71976424
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 67154491
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 139013069

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 71917763) is 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CC(C)C(=O)N1CCC(NC(=O)N2CCC(n3ccnc3)CC2)C1.
What is the InChIKey of 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is VXJLTZHJHJUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)16(23)21-7-3-14(11-21)19-17(24)20-8-4-15(5-9-20)22-10-6-18-12-22/h6,10,12-15H,3-5,7-9,11H2,1-2H3,(H,19,24).
What are the key properties of 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71917763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).