4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

C24H37N3O2 — CID 110262581

IUPAC4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(CC(C)C)CC2)C1
InChIInChI=1S/C24H37N3O2/c1-18(2)16-26-13-10-24(11-14-26,23(25)29)15-20-7-4-5-9-22(20)21-8-6-12-27(17-21)19(3)28/h4-5,7,9,18,21H,6,8,10-17H2,1-3H3,(H2,25,29)
InChIKeyJFLHPZHJGYRVIW-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.18
Rot. Bonds6

About 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 110262581) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID110262581
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(CC(C)C)CC2)C1
InChIInChI=1S/C24H37N3O2/c1-18(2)16-26-13-10-24(11-14-26,23(25)29)15-20-7-4-5-9-22(20)21-8-6-12-27(17-21)19(3)28/h4-5,7,9,18,21H,6,8,10-17H2,1-3H3,(H2,25,29)
InChIKeyJFLHPZHJGYRVIW-UHFFFAOYSA-N
XLogP3.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide
CID 110262588
4-[[2-[(3R)-1-acetylpiperidin-3-yl]phenyl]methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 95832530
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
1-[4-[(2-fluorophenyl)methyl]-4-[(3S)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124985154
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80564449
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
CID 23143134
2-(2-cyclopentylphenyl)acetamide
CID 68862878
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (CID 110262581) is 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is CC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(CC(C)C)CC2)C1.
What is the InChIKey of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is JFLHPZHJGYRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18(2)16-26-13-10-24(11-14-26,23(25)29)15-20-7-4-5-9-22(20)21-8-6-12-27(17-21)19(3)28/h4-5,7,9,18,21H,6,8,10-17H2,1-3H3,(H2,25,29).
What are the key properties of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 110262581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).