(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide

C22H29N3O2 — CID 166231411

IUPAC(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
SMILESCCOCc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C22H29N3O2/c1-3-27-17-20-10-7-11-21(14-20)23-22(26)25-13-12-24(15-18(25)2)16-19-8-5-4-6-9-19/h4-11,14,18H,3,12-13,15-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyYAHSJRZKBVOMSE-GOSISDBHSA-N
MW367.49 g/mol
LogP3.96
Rot. Bonds6

About (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide

(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide (PubChem CID 166231411) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
PubChem CID166231411
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
SMILESCCOCc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C22H29N3O2/c1-3-27-17-20-10-7-11-21(14-20)23-22(26)25-13-12-24(15-18(25)2)16-19-8-5-4-6-9-19/h4-11,14,18H,3,12-13,15-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyYAHSJRZKBVOMSE-GOSISDBHSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate
CID 136571796
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide
CID 166394818
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide
CID 124844033
(2S)-4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 95775566
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
(2S)-4-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]-2-propan-2-ylpiperazine-1-carboxamide
CID 97257381
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide (CID 166231411) is (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide is CCOCc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1.
What is the InChIKey of (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is YAHSJRZKBVOMSE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-27-17-20-10-7-11-21(14-20)23-22(26)25-13-12-24(15-18(25)2)16-19-8-5-4-6-9-19/h4-11,14,18H,3,12-13,15-17H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide?
(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 166231411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).