3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C18H27N3O2 — CID 37257020

IUPAC3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)CNc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-13-8-14(2)12-21(11-13)17(22)10-19-16-7-5-6-15(9-16)18(23)20(3)4/h5-7,9,13-14,19H,8,10-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLZBKNTARTHJCAV-KBPBESRZSA-N
MW317.43 g/mol
LogP2.30
Rot. Bonds4

About 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide

3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 37257020) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID37257020
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)CNc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-13-8-14(2)12-21(11-13)17(22)10-19-16-7-5-6-15(9-16)18(23)20(3)4/h5-7,9,13-14,19H,8,10-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLZBKNTARTHJCAV-KBPBESRZSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8804135
N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33249573
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108514940
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 37257020) is 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide is C[C@H]1C[C@H](C)CN(C(=O)CNc2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is LZBKNTARTHJCAV-KBPBESRZSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-8-14(2)12-21(11-13)17(22)10-19-16-7-5-6-15(9-16)18(23)20(3)4/h5-7,9,13-14,19H,8,10-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 37257020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).