1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H30N4O3 — CID 72914681

IUPAC1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H30N4O3/c1-21-12-15(11-20-21)13-22(9-10-26-2)19(25)16-7-8-18(24)23(14-16)17-5-3-4-6-17/h11-12,16-17H,3-10,13-14H2,1-2H3
InChIKeyMUITYAMVKKGLHF-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.58
Rot. Bonds7

About 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72914681) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72914681
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H30N4O3/c1-21-12-15(11-20-21)13-22(9-10-26-2)19(25)16-7-8-18(24)23(14-16)17-5-3-4-6-17/h11-12,16-17H,3-10,13-14H2,1-2H3
InChIKeyMUITYAMVKKGLHF-UHFFFAOYSA-N
XLogP1.58
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72914681) is 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MUITYAMVKKGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21-12-15(11-20-21)13-22(9-10-26-2)19(25)16-7-8-18(24)23(14-16)17-5-3-4-6-17/h11-12,16-17H,3-10,13-14H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).