4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide

C22H33N3O3 — CID 45175838

IUPAC4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-24-14-11-19(12-15-24)25-13-3-4-18(16-25)23-22(27)10-9-21(26)17-5-7-20(28-2)8-6-17/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,27)
InChIKeyRFKBLAHZQFLVCT-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.33
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide

4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide (PubChem CID 45175838) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
PubChem CID45175838
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-24-14-11-19(12-15-24)25-13-3-4-18(16-25)23-22(27)10-9-21(26)17-5-7-20(28-2)8-6-17/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,27)
InChIKeyRFKBLAHZQFLVCT-UHFFFAOYSA-N
XLogP2.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide with MolForge

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Related Compounds

4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 91770296
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide (CID 45175838) is 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The InChIKey is RFKBLAHZQFLVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-24-14-11-19(12-15-24)25-13-3-4-18(16-25)23-22(27)10-9-21(26)17-5-7-20(28-2)8-6-17/h5-8,18-19H,3-4,9-16H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide has a molecular weight of 387.52 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide is sourced from PubChem (CID 45175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).