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

C17H30N4O — CID 72927812

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H30N4O/c1-12(2)21-10-6-15(7-11-21)17(22)20(5)9-8-16-13(3)18-19-14(16)4/h12,15H,6-11H2,1-5H3,(H,18,19)
InChIKeyNVEIQYWWTUFHFQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.15
Rot. Bonds5

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72927812) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72927812
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H30N4O/c1-12(2)21-10-6-15(7-11-21)17(22)20(5)9-8-16-13(3)18-19-14(16)4/h12,15H,6-11H2,1-5H3,(H,18,19)
InChIKeyNVEIQYWWTUFHFQ-UHFFFAOYSA-N
XLogP2.15
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide (CID 72927812) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is NVEIQYWWTUFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)21-10-6-15(7-11-21)17(22)20(5)9-8-16-13(3)18-19-14(16)4/h12,15H,6-11H2,1-5H3,(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-(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 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72927812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).