N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide

C24H36N4O — CID 119737107

IUPACN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)C1CCNCC1
InChIInChI=1S/C24H36N4O/c1-19(20-12-14-25-15-13-20)17-24(29)28(2)16-8-4-7-11-22-18-23(27-26-22)21-9-5-3-6-10-21/h3,5-6,9-10,18-20,25H,4,7-8,11-17H2,1-2H3,(H,26,27)
InChIKeyMPXNSCPGXSPHRF-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.27
Rot. Bonds10

About N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide (PubChem CID 119737107) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
PubChem CID119737107
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)C1CCNCC1
InChIInChI=1S/C24H36N4O/c1-19(20-12-14-25-15-13-20)17-24(29)28(2)16-8-4-7-11-22-18-23(27-26-22)21-9-5-3-6-10-21/h3,5-6,9-10,18-20,25H,4,7-8,11-17H2,1-2H3,(H,26,27)
InChIKeyMPXNSCPGXSPHRF-UHFFFAOYSA-N
XLogP4.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide (CID 119737107) is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)C1CCNCC1.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide?
The InChIKey is MPXNSCPGXSPHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-19(20-12-14-25-15-13-20)17-24(29)28(2)16-8-4-7-11-22-18-23(27-26-22)21-9-5-3-6-10-21/h3,5-6,9-10,18-20,25H,4,7-8,11-17H2,1-2H3,(H,26,27).
What are the key properties of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide?
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide has a molecular weight of 396.58 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119737107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).