3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide

C17H27N3O2 — CID 95309881

IUPAC3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESC[C@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(21)12-19-7-9-20(10-8-19)13-15-5-4-6-16(11-15)17(22)18(2)3/h4-6,11,14,21H,7-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeySWKCUXWNVSHHAD-AWEZNQCLSA-N
MW305.42 g/mol
LogP0.89
Rot. Bonds5

About 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 95309881) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID95309881
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESC[C@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-14(21)12-19-7-9-20(10-8-19)13-15-5-4-6-16(11-15)17(22)18(2)3/h4-6,11,14,21H,7-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeySWKCUXWNVSHHAD-AWEZNQCLSA-N
XLogP0.89
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide 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-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55988850
3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55988324
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 110901980
N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
CID 55989493

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide (CID 95309881) is 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide is C[C@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is SWKCUXWNVSHHAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(21)12-19-7-9-20(10-8-19)13-15-5-4-6-16(11-15)17(22)18(2)3/h4-6,11,14,21H,7-10,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 95309881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).