N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C19H29N3O3S — CID 4099102

IUPACN-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,20,23)
InChIKeyBTFOXJKPOZODJO-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.79
Rot. Bonds6

About N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4099102) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID4099102
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,20,23)
InChIKeyBTFOXJKPOZODJO-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 4099102) is N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is BTFOXJKPOZODJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,20,23).
What are the key properties of N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4099102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).