N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide

C21H26N2O — CID 7071822

IUPACN-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)CCN(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/t16-,20-,21+/m0/s1
InChIKeyLTMCHGVWSAGBIT-ORYQWCPZSA-N
MW322.45 g/mol
LogP3.73
Rot. Bonds3

About N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide

N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide (PubChem CID 7071822) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
PubChem CID7071822
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)CCN(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/t16-,20-,21+/m0/s1
InChIKeyLTMCHGVWSAGBIT-ORYQWCPZSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide (CID 7071822) is N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide is CC(=O)N[C@]1(c2ccccc2)CCN(C)[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide?
The InChIKey is LTMCHGVWSAGBIT-ORYQWCPZSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/t16-,20-,21+/m0/s1.
What are the key properties of N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide?
N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 7071822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).