4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

C19H23ClN4O — CID 108989247

IUPAC4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN4O/c1-22(10-7-16-5-8-21-9-6-16)19(25)24-13-11-23(12-14-24)18-4-2-3-17(20)15-18/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyCUQLTVBPZFPHBN-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.15
Rot. Bonds4

About 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 108989247) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
PubChem CID108989247
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN4O/c1-22(10-7-16-5-8-21-9-6-16)19(25)24-13-11-23(12-14-24)18-4-2-3-17(20)15-18/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyCUQLTVBPZFPHBN-UHFFFAOYSA-N
XLogP3.15
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985554
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899872

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (CID 108989247) is 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is CN(CCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is CUQLTVBPZFPHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-22(10-7-16-5-8-21-9-6-16)19(25)24-13-11-23(12-14-24)18-4-2-3-17(20)15-18/h2-6,8-9,15H,7,10-14H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108989247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).