N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide

C32H41N3O — CID 10195675

IUPACN-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
SMILESO=C(CCCCc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H41N3O/c36-31(19-8-7-13-28-14-11-22-33-26-28)34-23-10-9-12-27-20-24-35(25-21-27)32(29-15-3-1-4-16-29)30-17-5-2-6-18-30/h1-6,11,14-18,22,26-27,32H,7-10,12-13,19-21,23-25H2,(H,34,36)
InChIKeyYFGVUBJQEGVJPM-UHFFFAOYSA-N
MW483.70 g/mol
LogP6.58
Rot. Bonds13

About N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide

N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide (PubChem CID 10195675) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide.

Molecular Properties

Compound NameN-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
PubChem CID10195675
Molecular FormulaC32H41N3O
Molecular Weight483.70 g/mol
Exact Mass483.32
IUPAC NameN-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
SMILESO=C(CCCCc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H41N3O/c36-31(19-8-7-13-28-14-11-22-33-26-28)34-23-10-9-12-27-20-24-35(25-21-27)32(29-15-3-1-4-16-29)30-17-5-2-6-18-30/h1-6,11,14-18,22,26-27,32H,7-10,12-13,19-21,23-25H2,(H,34,36)
InChIKeyYFGVUBJQEGVJPM-UHFFFAOYSA-N
XLogP6.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
CID 18425754
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide
CID 15017990
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide?
The IUPAC name of N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide (CID 10195675) is N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide.
What is the SMILES notation for N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide?
The canonical SMILES for N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide is O=C(CCCCc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide?
The InChIKey is YFGVUBJQEGVJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O/c36-31(19-8-7-13-28-14-11-22-33-26-28)34-23-10-9-12-27-20-24-35(25-21-27)32(29-15-3-1-4-16-29)30-17-5-2-6-18-30/h1-6,11,14-18,22,26-27,32H,7-10,12-13,19-21,23-25H2,(H,34,36).
What are the key properties of N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide?
N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide has a molecular weight of 483.70 g/mol, XLogP of 6.58, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide is sourced from PubChem (CID 10195675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).