N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide

C17H30N4O — CID 72919004

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1C(C)N(C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H30N4O/c1-11(2)21-9-7-15(8-10-21)17(22)20(6)14(5)16-12(3)18-19-13(16)4/h11,14-15H,7-10H2,1-6H3,(H,18,19)
InChIKeyZATUVLHTGZLOOF-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72919004) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72919004
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1C(C)N(C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H30N4O/c1-11(2)21-9-7-15(8-10-21)17(22)20(6)14(5)16-12(3)18-19-13(16)4/h11,14-15H,7-10H2,1-6H3,(H,18,19)
InChIKeyZATUVLHTGZLOOF-UHFFFAOYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide (CID 72919004) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide is Cc1n[nH]c(C)c1C(C)N(C)C(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is ZATUVLHTGZLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-11(2)21-9-7-15(8-10-21)17(22)20(6)14(5)16-12(3)18-19-13(16)4/h11,14-15H,7-10H2,1-6H3,(H,18,19).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72919004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).