N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

C23H34N4O3 — CID 85045795

IUPACN-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C2CC2)cc1
InChIInChI=1S/C23H34N4O3/c1-25-11-9-19(10-12-25)26-13-15-27(16-14-26)23(29)21(17-3-4-17)24-22(28)18-5-7-20(30-2)8-6-18/h5-8,17,19,21H,3-4,9-16H2,1-2H3,(H,24,28)
InChIKeyYMFMBNAWPVTTQM-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.44
Rot. Bonds6

About N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 85045795) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
PubChem CID85045795
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C2CC2)cc1
InChIInChI=1S/C23H34N4O3/c1-25-11-9-19(10-12-25)26-13-15-27(16-14-26)23(29)21(17-3-4-17)24-22(28)18-5-7-20(30-2)8-6-18/h5-8,17,19,21H,3-4,9-16H2,1-2H3,(H,24,28)
InChIKeyYMFMBNAWPVTTQM-UHFFFAOYSA-N
XLogP1.44
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197604
4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197361
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
4-methoxy-N-[(1R)-2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 93197351
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 22321691
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46020733
4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide (CID 85045795) is N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C2CC2)cc1.
What is the InChIKey of N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is YMFMBNAWPVTTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-25-11-9-19(10-12-25)26-13-15-27(16-14-26)23(29)21(17-3-4-17)24-22(28)18-5-7-20(30-2)8-6-18/h5-8,17,19,21H,3-4,9-16H2,1-2H3,(H,24,28).
What are the key properties of N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 414.55 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 85045795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).