N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

C17H26N6O — CID 71915613

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C17H26N6O/c1-12-15(13(2)21-20-12)10-19-17(24)23-7-4-5-14(11-23)9-16-18-6-8-22(16)3/h6,8,14H,4-5,7,9-11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyMTLSKHMYXNSGHK-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.92
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 71915613) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID71915613
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C17H26N6O/c1-12-15(13(2)21-20-12)10-19-17(24)23-7-4-5-14(11-23)9-16-18-6-8-22(16)3/h6,8,14H,4-5,7,9-11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyMTLSKHMYXNSGHK-UHFFFAOYSA-N
XLogP1.92
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 71915613) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is Cc1n[nH]c(C)c1CNC(=O)N1CCCC(Cc2nccn2C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MTLSKHMYXNSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12-15(13(2)21-20-12)10-19-17(24)23-7-4-5-14(11-23)9-16-18-6-8-22(16)3/h6,8,14H,4-5,7,9-11H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71915613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).