(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide

C18H28N6O — CID 95968956

IUPAC(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H28N6O/c1-5-15(16-12(2)22-23(4)13(16)3)21-18(25)24-10-6-7-14(11-24)17-19-8-9-20-17/h8-9,14-15H,5-7,10-11H2,1-4H3,(H,19,20)(H,21,25)/t14-,15-/m1/s1
InChIKeyHVXINBPZDCLELF-HUUCEWRRSA-N
MW344.46 g/mol
LogP2.80
Rot. Bonds4

About (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide

(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide (PubChem CID 95968956) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
PubChem CID95968956
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H28N6O/c1-5-15(16-12(2)22-23(4)13(16)3)21-18(25)24-10-6-7-14(11-24)17-19-8-9-20-17/h8-9,14-15H,5-7,10-11H2,1-4H3,(H,19,20)(H,21,25)/t14-,15-/m1/s1
InChIKeyHVXINBPZDCLELF-HUUCEWRRSA-N
XLogP2.80
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95967272
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 97242019
formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 154907745
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
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(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
CID 99857636
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
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CID 166188808
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124570245
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide (CID 95968956) is (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1c(C)nn(C)c1C.
What is the InChIKey of (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide?
The InChIKey is HVXINBPZDCLELF-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H28N6O/c1-5-15(16-12(2)22-23(4)13(16)3)21-18(25)24-10-6-7-14(11-24)17-19-8-9-20-17/h8-9,14-15H,5-7,10-11H2,1-4H3,(H,19,20)(H,21,25)/t14-,15-/m1/s1.
What are the key properties of (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide?
(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95968956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).