(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide

C16H23N3O3 — CID 124945908

IUPAC(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-10-9-17-14(11-19)16(21)18-8-7-13-5-3-4-6-15(13)22-2/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyBUKMYEAIPGIYAN-AWEZNQCLSA-N
MW305.38 g/mol
LogP0.17
Rot. Bonds5

About (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide

(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide (PubChem CID 124945908) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
PubChem CID124945908
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-10-9-17-14(11-19)16(21)18-8-7-13-5-3-4-6-15(13)22-2/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyBUKMYEAIPGIYAN-AWEZNQCLSA-N
XLogP0.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
(3R,6S)-1-acetyl-6-(cyclopentylamino)-N-[2-(2-methoxyphenyl)ethyl]azepane-3-carboxamide
CID 171386219
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-3-carboxamide
CID 106261503
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide (CID 124945908) is (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide is COc1ccccc1CCNC(=O)[C@@H]1CN(C(C)=O)CCN1.
What is the InChIKey of (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The InChIKey is BUKMYEAIPGIYAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(20)19-10-9-17-14(11-19)16(21)18-8-7-13-5-3-4-6-15(13)22-2/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide?
(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 124945908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).