(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

C20H31N3O2 — CID 95615873

IUPAC(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCN(C[C@H]2CCCCN2C)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-21-11-7-6-10-18(21)16-22-12-14-23(15-13-22)20(24)19(25-2)17-8-4-3-5-9-17/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyNSLGZSAQUASZDY-RTBURBONSA-N
MW345.49 g/mol
LogP2.00
Rot. Bonds5

About (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 95615873) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID95615873
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCN(C[C@H]2CCCCN2C)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-21-11-7-6-10-18(21)16-22-12-14-23(15-13-22)20(24)19(25-2)17-8-4-3-5-9-17/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyNSLGZSAQUASZDY-RTBURBONSA-N
XLogP2.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 95293833
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (CID 95615873) is (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is CO[C@@H](C(=O)N1CCN(C[C@H]2CCCCN2C)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is NSLGZSAQUASZDY-RTBURBONSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21-11-7-6-10-18(21)16-22-12-14-23(15-13-22)20(24)19(25-2)17-8-4-3-5-9-17/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 345.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95615873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).