N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide

C16H23N3O2 — CID 119493833

IUPACN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
SMILESCNC1CCCN(C(=O)c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C16H23N3O2/c1-17-14-8-5-9-19(11-14)16(21)13-7-4-6-12(10-13)15(20)18(2)3/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3
InChIKeyHWTSGZWNVGNWKR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds3

About N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide

N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide (PubChem CID 119493833) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
PubChem CID119493833
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
SMILESCNC1CCCN(C(=O)c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C16H23N3O2/c1-17-14-8-5-9-19(11-14)16(21)13-7-4-6-12(10-13)15(20)18(2)3/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3
InChIKeyHWTSGZWNVGNWKR-UHFFFAOYSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 71642618
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide (CID 119493833) is N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide is CNC1CCCN(C(=O)c2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide?
The InChIKey is HWTSGZWNVGNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-14-8-5-9-19(11-14)16(21)13-7-4-6-12(10-13)15(20)18(2)3/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide?
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 119493833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).