3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide

C14H21N3O — CID 104982407

IUPAC3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyDVBQFAYGFYFBCU-LBPRGKRZSA-N
MW247.34 g/mol
LogP1.23
Rot. Bonds3

About 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide

3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 104982407) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID104982407
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyDVBQFAYGFYFBCU-LBPRGKRZSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-piperidin-3-ylbenzamide
CID 22017045
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide (CID 104982407) is 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide is CN(C)c1cccc(C(=O)N[C@H]2CCCNC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is DVBQFAYGFYFBCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)13-7-3-5-11(9-13)14(18)16-12-6-4-8-15-10-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide?
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 104982407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).