N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide

C27H33N3O5 — CID 93199115

IUPACN-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C27H33N3O5/c1-19-5-3-6-21(17-19)25(31)28-24(27(33)30-13-15-35-16-14-30)20-9-11-29(12-10-20)26(32)22-7-4-8-23(18-22)34-2/h3-8,17-18,20,24H,9-16H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyJYNBDKNGXLMKAQ-XMMPIXPASA-N
MW479.58 g/mol
LogP2.51
Rot. Bonds6

About N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide

N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide (PubChem CID 93199115) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
PubChem CID93199115
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C27H33N3O5/c1-19-5-3-6-21(17-19)25(31)28-24(27(33)30-13-15-35-16-14-30)20-9-11-29(12-10-20)26(32)22-7-4-8-23(18-22)34-2/h3-8,17-18,20,24H,9-16H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyJYNBDKNGXLMKAQ-XMMPIXPASA-N
XLogP2.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 93199113
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46151903
N-[(1S)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199016
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46020877
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
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-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide (CID 93199115) is N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide is COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?
The InChIKey is JYNBDKNGXLMKAQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H33N3O5/c1-19-5-3-6-21(17-19)25(31)28-24(27(33)30-13-15-35-16-14-30)20-9-11-29(12-10-20)26(32)22-7-4-8-23(18-22)34-2/h3-8,17-18,20,24H,9-16H2,1-2H3,(H,28,31)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide?
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide has a molecular weight of 479.58 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 93199115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).