1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C23H38N4O2 — CID 24793825

IUPAC1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C1CCC(=O)N(C2CCCCCC2)C1)C(C)C
InChIInChI=1S/C23H38N4O2/c1-16(2)26(15-21-17(3)24-25(5)18(21)4)23(29)19-12-13-22(28)27(14-19)20-10-8-6-7-9-11-20/h16,19-20H,6-15H2,1-5H3
InChIKeyJRMWSTOUXVRRIS-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.74
Rot. Bonds5

About 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793825) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24793825
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C1CCC(=O)N(C2CCCCCC2)C1)C(C)C
InChIInChI=1S/C23H38N4O2/c1-16(2)26(15-21-17(3)24-25(5)18(21)4)23(29)19-12-13-22(28)27(14-19)20-10-8-6-7-9-11-20/h16,19-20H,6-15H2,1-5H3
InChIKeyJRMWSTOUXVRRIS-UHFFFAOYSA-N
XLogP3.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24793825) is 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)C1CCC(=O)N(C2CCCCCC2)C1)C(C)C.
What is the InChIKey of 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JRMWSTOUXVRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-16(2)26(15-21-17(3)24-25(5)18(21)4)23(29)19-12-13-22(28)27(14-19)20-10-8-6-7-9-11-20/h16,19-20H,6-15H2,1-5H3.
What are the key properties of 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).