N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide

C27H33N3O3S — CID 18425754

IUPACN-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H33N3O3S/c31-27(13-10-23-7-5-16-28-21-23)29-17-4-3-6-22-14-18-30(19-15-22)34(32,33)26-12-11-24-8-1-2-9-25(24)20-26/h1-2,5,7-9,11-12,16,20-22H,3-4,6,10,13-15,17-19H2,(H,29,31)
InChIKeyPKCWQXXZTIHLOF-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.55
Rot. Bonds10

About N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide

N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide (PubChem CID 18425754) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
PubChem CID18425754
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC NameN-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H33N3O3S/c31-27(13-10-23-7-5-16-28-21-23)29-17-4-3-6-22-14-18-30(19-15-22)34(32,33)26-12-11-24-8-1-2-9-25(24)20-26/h1-2,5,7-9,11-12,16,20-22H,3-4,6,10,13-15,17-19H2,(H,29,31)
InChIKeyPKCWQXXZTIHLOF-UHFFFAOYSA-N
XLogP4.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
CID 10195675
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 131942617
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
N-[4-[1-(3-naphthalen-2-ylprop-2-enylsulfonyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 174371307
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide (CID 18425754) is N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide?
The InChIKey is PKCWQXXZTIHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c31-27(13-10-23-7-5-16-28-21-23)29-17-4-3-6-22-14-18-30(19-15-22)34(32,33)26-12-11-24-8-1-2-9-25(24)20-26/h1-2,5,7-9,11-12,16,20-22H,3-4,6,10,13-15,17-19H2,(H,29,31).
What are the key properties of N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide?
N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide has a molecular weight of 479.65 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 18425754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).