4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C23H36N4O4 — CID 46020666

IUPAC4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4/c1-15(2)14-24-22(29)20(26-21(28)18-6-8-19(31-5)9-7-18)17-10-12-27(13-11-17)23(30)25-16(3)4/h6-9,15-17,20H,10-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28)
InChIKeyYYBOOWZUTLIJLY-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.40
Rot. Bonds8

About 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 46020666) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID46020666
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4/c1-15(2)14-24-22(29)20(26-21(28)18-6-8-19(31-5)9-7-18)17-10-12-27(13-11-17)23(30)25-16(3)4/h6-9,15-17,20H,10-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28)
InChIKeyYYBOOWZUTLIJLY-UHFFFAOYSA-N
XLogP2.40
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93197423
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197437
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197439
4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506
4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200107
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197604
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
4-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46020427

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 46020666) is 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is COc1ccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is YYBOOWZUTLIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-15(2)14-24-22(29)20(26-21(28)18-6-8-19(31-5)9-7-18)17-10-12-27(13-11-17)23(30)25-16(3)4/h6-9,15-17,20H,10-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28).
What are the key properties of 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46020666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).