1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C20H32N4O2 — CID 72837602

IUPAC1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-15(2)12-24(14-16-11-21-22(3)13-16)20(26)18-7-9-23(10-8-18)19(25)17-5-4-6-17/h11,13,15,17-18H,4-10,12,14H2,1-3H3
InChIKeyPYCYQJWWJOLHQN-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.44
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 72837602) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID72837602
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-15(2)12-24(14-16-11-21-22(3)13-16)20(26)18-7-9-23(10-8-18)19(25)17-5-4-6-17/h11,13,15,17-18H,4-10,12,14H2,1-3H3
InChIKeyPYCYQJWWJOLHQN-UHFFFAOYSA-N
XLogP2.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 72837602) is 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CC(C)CN(Cc1cnn(C)c1)C(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PYCYQJWWJOLHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)12-24(14-16-11-21-22(3)13-16)20(26)18-7-9-23(10-8-18)19(25)17-5-4-6-17/h11,13,15,17-18H,4-10,12,14H2,1-3H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72837602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).