[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

C16H25N3O — CID 124575046

IUPAC[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1
InChIInChI=1S/C16H25N3O/c1-17-15-8-5-9-19(12-15)16(20)14-7-4-6-13(10-14)11-18(2)3/h4,6-7,10,15,17H,5,8-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyGFJCDKPLNDQFGV-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.57
Rot. Bonds4

About [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124575046) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124575046
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1
InChIInChI=1S/C16H25N3O/c1-17-15-8-5-9-19(12-15)16(20)14-7-4-6-13(10-14)11-18(2)3/h4,6-7,10,15,17H,5,8-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyGFJCDKPLNDQFGV-HNNXBMFYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772
[(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]-(3-methoxypyrrolidin-1-yl)methanone
CID 119073175
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
3-[[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 119490977
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (CID 124575046) is [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is CN[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is GFJCDKPLNDQFGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-15-8-5-9-19(12-15)16(20)14-7-4-6-13(10-14)11-18(2)3/h4,6-7,10,15,17H,5,8-9,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124575046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).