4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide

C24H33N3O — CID 10547763

IUPAC4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@@H]2C)cc1
InChIInChI=1S/C24H33N3O/c1-5-26(6-2)24(28)20-12-14-22(15-13-20)27(21-10-8-7-9-11-21)23-16-17-25(4)18-19(23)3/h7-15,19,23H,5-6,16-18H2,1-4H3/t19-,23+/m0/s1
InChIKeyJWKRKSZDOLYLPR-WMZHIEFXSA-N
MW379.55 g/mol
LogP4.65
Rot. Bonds6

About 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide

4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide (PubChem CID 10547763) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
PubChem CID10547763
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@@H]2C)cc1
InChIInChI=1S/C24H33N3O/c1-5-26(6-2)24(28)20-12-14-22(15-13-20)27(21-10-8-7-9-11-21)23-16-17-25(4)18-19(23)3/h7-15,19,23H,5-6,16-18H2,1-4H3/t19-,23+/m0/s1
InChIKeyJWKRKSZDOLYLPR-WMZHIEFXSA-N
XLogP4.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide (CID 10547763) is 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@@H]2C)cc1.
What is the InChIKey of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide?
The InChIKey is JWKRKSZDOLYLPR-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H33N3O/c1-5-26(6-2)24(28)20-12-14-22(15-13-20)27(21-10-8-7-9-11-21)23-16-17-25(4)18-19(23)3/h7-15,19,23H,5-6,16-18H2,1-4H3/t19-,23+/m0/s1.
What are the key properties of 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide?
4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide has a molecular weight of 379.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]anilino)-N,N-diethylbenzamide is sourced from PubChem (CID 10547763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).