N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C23H38N4O — CID 24818932

IUPACN-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H38N4O/c1-18(2)7-6-8-19(3)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-9-4-5-10-20/h7,11,14,19-21H,4-6,8-10,12-13,15-17H2,1-3H3,(H,25,28)
InChIKeyPQQSODSHSPUXBC-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.03
Rot. Bonds8

About N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24818932) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24818932
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC NameN-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H38N4O/c1-18(2)7-6-8-19(3)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-9-4-5-10-20/h7,11,14,19-21H,4-6,8-10,12-13,15-17H2,1-3H3,(H,25,28)
InChIKeyPQQSODSHSPUXBC-UHFFFAOYSA-N
XLogP5.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24818932) is N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is PQQSODSHSPUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-18(2)7-6-8-19(3)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-9-4-5-10-20/h7,11,14,19-21H,4-6,8-10,12-13,15-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 386.58 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24818932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).