1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

C19H30N2O4S — CID 45482503

IUPAC1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)21-12-6-7-16(14-21)19(22)20-17-8-10-18(11-9-17)25-15(2)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,20,22)
InChIKeyHKAAZBSIFKNCPN-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.25
Rot. Bonds8

About 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 45482503) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID45482503
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)21-12-6-7-16(14-21)19(22)20-17-8-10-18(11-9-17)25-15(2)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,20,22)
InChIKeyHKAAZBSIFKNCPN-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 45482503) is 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is CCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is HKAAZBSIFKNCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-5-13-26(23,24)21-12-6-7-16(14-21)19(22)20-17-8-10-18(11-9-17)25-15(2)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,20,22).
What are the key properties of 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45482503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).