1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide

C22H31N3O2 — CID 91953916

IUPAC1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)NC(C)C)CC3)ccc21
InChIInChI=1S/C22H31N3O2/c1-6-25-16(5)15(4)19-13-18(7-8-20(19)25)22(27)24-11-9-17(10-12-24)21(26)23-14(2)3/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,23,26)
InChIKeyWGSSCCKYEIKWFI-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.65
Rot. Bonds4

About 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91953916) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91953916
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)NC(C)C)CC3)ccc21
InChIInChI=1S/C22H31N3O2/c1-6-25-16(5)15(4)19-13-18(7-8-20(19)25)22(27)24-11-9-17(10-12-24)21(26)23-14(2)3/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,23,26)
InChIKeyWGSSCCKYEIKWFI-UHFFFAOYSA-N
XLogP3.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 51594671
(1-ethyl-2,3-dimethylindol-5-yl)-thiomorpholin-4-ylmethanone
CID 5015099
(1-ethyl-2,3-dimethylindol-5-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749738
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26395456
[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 91953916) is 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is CCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)NC(C)C)CC3)ccc21.
What is the InChIKey of 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WGSSCCKYEIKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-6-25-16(5)15(4)19-13-18(7-8-20(19)25)22(27)24-11-9-17(10-12-24)21(26)23-14(2)3/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,23,26).
What are the key properties of 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91953916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).