N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C21H33N3O3S — CID 3241593

IUPACN-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-18(10-11-19-8-4-2-5-9-19)22-21(25)20-12-16-24(17-13-20)28(26,27)23-14-6-3-7-15-23/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3,(H,22,25)
InChIKeyRHAMHJRAAOVPTJ-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.57
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3241593) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3241593
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-18(10-11-19-8-4-2-5-9-19)22-21(25)20-12-16-24(17-13-20)28(26,27)23-14-6-3-7-15-23/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3,(H,22,25)
InChIKeyRHAMHJRAAOVPTJ-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3241593) is N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RHAMHJRAAOVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-18(10-11-19-8-4-2-5-9-19)22-21(25)20-12-16-24(17-13-20)28(26,27)23-14-6-3-7-15-23/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3,(H,22,25).
What are the key properties of N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).