2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C21H34N4O2 — CID 71911891

IUPAC2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCCN(C)c1ccc(C(=O)N2CCC(N(C)CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O2/c1-6-23(4)18-9-7-17(8-10-18)21(27)25-13-11-19(12-14-25)24(5)15-20(26)22-16(2)3/h7-10,16,19H,6,11-15H2,1-5H3,(H,22,26)
InChIKeyOPMLZYKZLKJOKJ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.20
Rot. Bonds7

About 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 71911891) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID71911891
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCCN(C)c1ccc(C(=O)N2CCC(N(C)CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O2/c1-6-23(4)18-9-7-17(8-10-18)21(27)25-13-11-19(12-14-25)24(5)15-20(26)22-16(2)3/h7-10,16,19H,6,11-15H2,1-5H3,(H,22,26)
InChIKeyOPMLZYKZLKJOKJ-UHFFFAOYSA-N
XLogP2.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 75386847
trans-(1R,2R)-2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 97238780
2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide
CID 71911890
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120506
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 71908932

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 71911891) is 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CCN(C)c1ccc(C(=O)N2CCC(N(C)CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is OPMLZYKZLKJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-6-23(4)18-9-7-17(8-10-18)21(27)25-13-11-19(12-14-25)24(5)15-20(26)22-16(2)3/h7-10,16,19H,6,11-15H2,1-5H3,(H,22,26).
What are the key properties of 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 374.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-[ethyl(methyl)amino]benzoyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71911891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).