1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide

C22H33N3O3 — CID 55791695

IUPAC1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCC(C)N3CCOCC3)C2)c1
InChIInChI=1S/C22H33N3O3/c1-16-11-17(2)13-20(12-16)22(27)25-6-4-5-19(15-25)21(26)23-14-18(3)24-7-9-28-10-8-24/h11-13,18-19H,4-10,14-15H2,1-3H3,(H,23,26)
InChIKeyFGKFFVJYRREBOP-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.99
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 55791695) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID55791695
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCC(C)N3CCOCC3)C2)c1
InChIInChI=1S/C22H33N3O3/c1-16-11-17(2)13-20(12-16)22(27)25-6-4-5-19(15-25)21(26)23-14-18(3)24-7-9-28-10-8-24/h11-13,18-19H,4-10,14-15H2,1-3H3,(H,23,26)
InChIKeyFGKFFVJYRREBOP-UHFFFAOYSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 55791695) is 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCC(C)N3CCOCC3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is FGKFFVJYRREBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-11-17(2)13-20(12-16)22(27)25-6-4-5-19(15-25)21(26)23-14-18(3)24-7-9-28-10-8-24/h11-13,18-19H,4-10,14-15H2,1-3H3,(H,23,26).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 55791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).