1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide

C21H31N3O3 — CID 55715422

IUPAC1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)CN3CCOCC3)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-16-5-7-18(8-6-16)21(26)24-9-3-4-19(15-24)20(25)22-17(2)14-23-10-12-27-13-11-23/h5-8,17,19H,3-4,9-15H2,1-2H3,(H,22,25)
InChIKeyBQYCNODLTLHWNK-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.68
Rot. Bonds5

About 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide

1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 55715422) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
PubChem CID55715422
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)CN3CCOCC3)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-16-5-7-18(8-6-16)21(26)24-9-3-4-19(15-24)20(25)22-17(2)14-23-10-12-27-13-11-23/h5-8,17,19H,3-4,9-15H2,1-2H3,(H,22,25)
InChIKeyBQYCNODLTLHWNK-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622815
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 55791695
(3R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94129224
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide (CID 55715422) is 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NC(C)CN3CCOCC3)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is BQYCNODLTLHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-5-7-18(8-6-16)21(26)24-9-3-4-19(15-24)20(25)22-17(2)14-23-10-12-27-13-11-23/h5-8,17,19H,3-4,9-15H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55715422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).