N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide

C22H33N3O4 — CID 93197391

IUPACN-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N(CC)CC)CC1
InChIInChI=1S/C22H33N3O4/c1-5-19(26)25-14-12-16(13-15-25)20(22(28)24(6-2)7-3)23-21(27)17-8-10-18(29-4)11-9-17/h8-11,16,20H,5-7,12-15H2,1-4H3,(H,23,27)/t20-/m1/s1
InChIKeyIHBJRENEPGPQDO-HXUWFJFHSA-N
MW403.52 g/mol
LogP2.31
Rot. Bonds8

About N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide

N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide (PubChem CID 93197391) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
PubChem CID93197391
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N(CC)CC)CC1
InChIInChI=1S/C22H33N3O4/c1-5-19(26)25-14-12-16(13-15-25)20(22(28)24(6-2)7-3)23-21(27)17-8-10-18(29-4)11-9-17/h8-11,16,20H,5-7,12-15H2,1-4H3,(H,23,27)/t20-/m1/s1
InChIKeyIHBJRENEPGPQDO-HXUWFJFHSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46020048
N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014688
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 93197583
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197361
4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506
N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 97496241
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019728
N-[(1R)-2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198466

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide (CID 93197391) is N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide is CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N(CC)CC)CC1.
What is the InChIKey of N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
The InChIKey is IHBJRENEPGPQDO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-5-19(26)25-14-12-16(13-15-25)20(22(28)24(6-2)7-3)23-21(27)17-8-10-18(29-4)11-9-17/h8-11,16,20H,5-7,12-15H2,1-4H3,(H,23,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide?
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide has a molecular weight of 403.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 93197391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).