(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide

C25H31N3O3S — CID 98686003

IUPAC(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H31N3O3S/c1-2-16-32(30,31)28-15-9-8-14-24(28)25(29)27-17-21(19-10-4-3-5-11-19)22-18-26-23-13-7-6-12-20(22)23/h3-7,10-13,18,21,24,26H,2,8-9,14-17H2,1H3,(H,27,29)/t21-,24-/m1/s1
InChIKeyNHGXTNQALDIVRX-ZJSXRUAMSA-N
MW453.61 g/mol
LogP4.01
Rot. Bonds8

About (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide

(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 98686003) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID98686003
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H31N3O3S/c1-2-16-32(30,31)28-15-9-8-14-24(28)25(29)27-17-21(19-10-4-3-5-11-19)22-18-26-23-13-7-6-12-20(22)23/h3-7,10-13,18,21,24,26H,2,8-9,14-17H2,1H3,(H,27,29)/t21-,24-/m1/s1
InChIKeyNHGXTNQALDIVRX-ZJSXRUAMSA-N
XLogP4.01
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918683
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 154834077
N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119527737
(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081227
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119680300
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55790068

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 98686003) is (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is NHGXTNQALDIVRX-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-2-16-32(30,31)28-15-9-8-14-24(28)25(29)27-17-21(19-10-4-3-5-11-19)22-18-26-23-13-7-6-12-20(22)23/h3-7,10-13,18,21,24,26H,2,8-9,14-17H2,1H3,(H,27,29)/t21-,24-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide?
(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 98686003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).