N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide

C13H22N4O — CID 169253730

IUPACN,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cnn(CC2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C13H22N4O/c1-11-8-14-17(9-11)10-12-4-6-16(7-5-12)13(18)15(2)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyNVZPEHUMOPPFOI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.59
Rot. Bonds2

About N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 169253730) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID169253730
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cnn(CC2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C13H22N4O/c1-11-8-14-17(9-11)10-12-4-6-16(7-5-12)13(18)15(2)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyNVZPEHUMOPPFOI-UHFFFAOYSA-N
XLogP1.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide (CID 169253730) is N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide is Cc1cnn(CC2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is NVZPEHUMOPPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-8-14-17(9-11)10-12-4-6-16(7-5-12)13(18)15(2)3/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 169253730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).