N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

C27H35N3O4 — CID 93198081

IUPACN-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C27H35N3O4/c1-5-29(6-2)27(33)24(28-25(31)22-8-7-9-23(18-22)34-4)20-14-16-30(17-15-20)26(32)21-12-10-19(3)11-13-21/h7-13,18,20,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyVUIVGWRZGAAKGO-DEOSSOPVSA-N
MW465.59 g/mol
LogP3.52
Rot. Bonds8

About N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 93198081) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
PubChem CID93198081
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C27H35N3O4/c1-5-29(6-2)27(33)24(28-25(31)22-8-7-9-23(18-22)34-4)20-14-16-30(17-15-20)26(32)21-12-10-19(3)11-13-21/h7-13,18,20,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyVUIVGWRZGAAKGO-DEOSSOPVSA-N
XLogP3.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198098
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198067
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019728
N-[2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46020741
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[2-(diethylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019901
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (CID 93198081) is N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is VUIVGWRZGAAKGO-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-5-29(6-2)27(33)24(28-25(31)22-8-7-9-23(18-22)34-4)20-14-16-30(17-15-20)26(32)21-12-10-19(3)11-13-21/h7-13,18,20,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 465.59 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).