1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone

C19H30N4O — CID 124689394

IUPAC1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-16-13-18(20)7-8-23(16)19(24)15-22-11-9-21(10-12-22)14-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3/t16-,18-/m1/s1
InChIKeyIHZBXAPVQMBAMU-SJLPKXTDSA-N
MW330.48 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone (PubChem CID 124689394) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
PubChem CID124689394
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-16-13-18(20)7-8-23(16)19(24)15-22-11-9-21(10-12-22)14-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3/t16-,18-/m1/s1
InChIKeyIHZBXAPVQMBAMU-SJLPKXTDSA-N
XLogP1.14
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone 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

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387
(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 122149103
(2R,3R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116171
1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 122149010
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 55566365
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124691321
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124689344
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone (CID 124689394) is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone is C[C@@H]1C[C@H](N)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone?
The InChIKey is IHZBXAPVQMBAMU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-13-18(20)7-8-23(16)19(24)15-22-11-9-21(10-12-22)14-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3/t16-,18-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone?
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone has a molecular weight of 330.48 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 124689394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).