(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

C23H34N4O3S — CID 92751290

IUPAC(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)ccc21
InChIInChI=1S/C23H34N4O3S/c1-2-26-15-10-19-17-21(8-9-22(19)26)31(29,30)27-14-6-7-20(18-27)23(28)24-11-16-25-12-4-3-5-13-25/h8-10,15,17,20H,2-7,11-14,16,18H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyWXAIMQNIIPHCQD-HXUWFJFHSA-N
MW446.62 g/mol
LogP2.66
Rot. Bonds7

About (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 92751290) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID92751290
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)ccc21
InChIInChI=1S/C23H34N4O3S/c1-2-26-15-10-19-17-21(8-9-22(19)26)31(29,30)27-14-6-7-20(18-27)23(28)24-11-16-25-12-4-3-5-13-25/h8-10,15,17,20H,2-7,11-14,16,18H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyWXAIMQNIIPHCQD-HXUWFJFHSA-N
XLogP2.66
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92765113
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 92751290) is (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)ccc21.
What is the InChIKey of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is WXAIMQNIIPHCQD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-2-26-15-10-19-17-21(8-9-22(19)26)31(29,30)27-14-6-7-20(18-27)23(28)24-11-16-25-12-4-3-5-13-25/h8-10,15,17,20H,2-7,11-14,16,18H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92751290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).