N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide

C19H24ClN5O — CID 154780669

IUPACN-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCc2cnccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN5O/c1-15(16-3-2-4-17(20)13-16)23-19(26)25-11-9-24(10-12-25)8-5-18-14-21-6-7-22-18/h2-4,6-7,13-15H,5,8-12H2,1H3,(H,23,26)
InChIKeyUJFUKNSJXAYJQT-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide

N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide (PubChem CID 154780669) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide
PubChem CID154780669
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCc2cnccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN5O/c1-15(16-3-2-4-17(20)13-16)23-19(26)25-11-9-24(10-12-25)8-5-18-14-21-6-7-22-18/h2-4,6-7,13-15H,5,8-12H2,1H3,(H,23,26)
InChIKeyUJFUKNSJXAYJQT-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96981455
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 41287111
(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide (CID 154780669) is N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(CCc2cnccn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is UJFUKNSJXAYJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-15(16-3-2-4-17(20)13-16)23-19(26)25-11-9-24(10-12-25)8-5-18-14-21-6-7-22-18/h2-4,6-7,13-15H,5,8-12H2,1H3,(H,23,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 154780669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).