N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C23H30N2O3S — CID 43876653

IUPACN-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C23H30N2O3S/c26-23(24-16-15-21-11-5-2-6-12-21)22-14-7-17-25(19-22)29(27,28)18-8-13-20-9-3-1-4-10-20/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)
InChIKeyDYUNGMQWUUHPBY-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.02
Rot. Bonds9

About N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 43876653) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID43876653
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C23H30N2O3S/c26-23(24-16-15-21-11-5-2-6-12-21)22-14-7-17-25(19-22)29(27,28)18-8-13-20-9-3-1-4-10-20/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)
InChIKeyDYUNGMQWUUHPBY-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
(3R)-N-[3-(4-fluorophenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28632952
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
N-[2-(2-chlorophenoxy)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239657
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239662
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
(3S)-N-[3-(2-ethoxyphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019320
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 43876653) is N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is DYUNGMQWUUHPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c26-23(24-16-15-21-11-5-2-6-12-21)22-14-7-17-25(19-22)29(27,28)18-8-13-20-9-3-1-4-10-20/h1-6,9-12,22H,7-8,13-19H2,(H,24,26).
What are the key properties of N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43876653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).