N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide

C27H33N3O6 — CID 93198098

IUPACN-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H33N3O6/c1-4-29(5-2)27(33)24(28-25(31)19-7-6-8-21(15-19)34-3)18-11-13-30(14-12-18)26(32)20-9-10-22-23(16-20)36-17-35-22/h6-10,15-16,18,24H,4-5,11-14,17H2,1-3H3,(H,28,31)/t24-/m1/s1
InChIKeyVVDUYWKXXMBOFG-XMMPIXPASA-N
MW495.58 g/mol
LogP2.94
Rot. Bonds8

About N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide

N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 93198098) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID93198098
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC NameN-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H33N3O6/c1-4-29(5-2)27(33)24(28-25(31)19-7-6-8-21(15-19)34-3)18-11-13-30(14-12-18)26(32)20-9-10-22-23(16-20)36-17-35-22/h6-10,15-16,18,24H,4-5,11-14,17H2,1-3H3,(H,28,31)/t24-/m1/s1
InChIKeyVVDUYWKXXMBOFG-XMMPIXPASA-N
XLogP2.94
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019901
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198067
N-[(1R)-2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198466
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019728
N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(butan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019523
N-[2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46020741
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019895
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198599
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019927
N-[(1S)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 93197768
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide (CID 93198098) is N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide is CCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is VVDUYWKXXMBOFG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H33N3O6/c1-4-29(5-2)27(33)24(28-25(31)19-7-6-8-21(15-19)34-3)18-11-13-30(14-12-18)26(32)20-9-10-22-23(16-20)36-17-35-22/h6-10,15-16,18,24H,4-5,11-14,17H2,1-3H3,(H,28,31)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide?
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 495.58 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).