N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide

C24H27N3O3 — CID 126827132

IUPACN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cc2ccccc21
InChIInChI=1S/C24H27N3O3/c1-2-12-27-21-11-4-3-7-17(21)15-22(27)23(29)25-19-9-5-8-18(14-19)24(30)26-13-6-10-20(28)16-26/h3-5,7-9,11,14-15,20,28H,2,6,10,12-13,16H2,1H3,(H,25,29)
InChIKeyJZFNAUHYAHXHEP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.90
Rot. Bonds5

About N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide (PubChem CID 126827132) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide
PubChem CID126827132
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cc2ccccc21
InChIInChI=1S/C24H27N3O3/c1-2-12-27-21-11-4-3-7-17(21)15-22(27)23(29)25-19-9-5-8-18(14-19)24(30)26-13-6-10-20(28)16-26/h3-5,7-9,11,14-15,20,28H,2,6,10,12-13,16H2,1H3,(H,25,29)
InChIKeyJZFNAUHYAHXHEP-UHFFFAOYSA-N
XLogP3.90
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97260290
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
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1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
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(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
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CID 111777953
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 99854647
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide (CID 126827132) is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide is CCCn1c(C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cc2ccccc21.
What is the InChIKey of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide?
The InChIKey is JZFNAUHYAHXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-12-27-21-11-4-3-7-17(21)15-22(27)23(29)25-19-9-5-8-18(14-19)24(30)26-13-6-10-20(28)16-26/h3-5,7-9,11,14-15,20,28H,2,6,10,12-13,16H2,1H3,(H,25,29).
What are the key properties of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide?
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide is sourced from PubChem (CID 126827132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).