1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide

C20H29N3O2 — CID 75370579

IUPAC1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2(N(C)C)CCc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-4-21-18(24)16-10-13-23(14-11-16)19(25)20(22(2)3)12-9-15-7-5-6-8-17(15)20/h5-8,16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyOWHYQSGPESYICI-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.76
Rot. Bonds4

About 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide

1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 75370579) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide
PubChem CID75370579
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2(N(C)C)CCc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-4-21-18(24)16-10-13-23(14-11-16)19(25)20(22(2)3)12-9-15-7-5-6-8-17(15)20/h5-8,16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyOWHYQSGPESYICI-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 83071816
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 72871808
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide
CID 95145344

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide (CID 75370579) is 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)C2(N(C)C)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is OWHYQSGPESYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-21-18(24)16-10-13-23(14-11-16)19(25)20(22(2)3)12-9-15-7-5-6-8-17(15)20/h5-8,16H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide?
1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 75370579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).