N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide

C20H32N2O3S — CID 110299822

IUPACN-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H32N2O3S/c1-18(2)22(17-19-11-5-3-6-12-19)20(23)13-7-10-16-26(24,25)21-14-8-4-9-15-21/h3,5-6,11-12,18H,4,7-10,13-17H2,1-2H3
InChIKeyCKSCWCXVNDXLLM-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.41
Rot. Bonds9

About N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide

N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide (PubChem CID 110299822) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
PubChem CID110299822
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H32N2O3S/c1-18(2)22(17-19-11-5-3-6-12-19)20(23)13-7-10-16-26(24,25)21-14-8-4-9-15-21/h3,5-6,11-12,18H,4,7-10,13-17H2,1-2H3
InChIKeyCKSCWCXVNDXLLM-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide?
The IUPAC name of N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide (CID 110299822) is N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide.
What is the SMILES notation for N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide?
The canonical SMILES for N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide is CC(C)N(Cc1ccccc1)C(=O)CCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide?
The InChIKey is CKSCWCXVNDXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-18(2)22(17-19-11-5-3-6-12-19)20(23)13-7-10-16-26(24,25)21-14-8-4-9-15-21/h3,5-6,11-12,18H,4,7-10,13-17H2,1-2H3.
What are the key properties of N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide?
N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide has a molecular weight of 380.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 110299822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).