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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Related Compounds

N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819002
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794189
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24790288
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235
N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 42906833
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
N-(1-ethyl-1H-pyrazol-3-yl)cyclopentanecarboxamide
CID 35525134
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677

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).