N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide

C19H23ClN4O — CID 30138028

IUPACN-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(Cc2ccccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN4O/c20-17-6-1-2-7-18(17)22-19(25)8-10-23-11-13-24(14-12-23)15-16-5-3-4-9-21-16/h1-7,9H,8,10-15H2,(H,22,25)
InChIKeyHWIASUFAOFMDCK-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.88
Rot. Bonds6

About N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide

N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 30138028) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID30138028
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(Cc2ccccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN4O/c20-17-6-1-2-7-18(17)22-19(25)8-10-23-11-13-24(14-12-23)15-16-5-3-4-9-21-16/h1-7,9H,8,10-15H2,(H,22,25)
InChIKeyHWIASUFAOFMDCK-UHFFFAOYSA-N
XLogP2.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
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N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
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N-(2-chlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
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N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
N-(2-chlorophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46405467
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
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N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide (CID 30138028) is N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(Cc2ccccn2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is HWIASUFAOFMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-17-6-1-2-7-18(17)22-19(25)8-10-23-11-13-24(14-12-23)15-16-5-3-4-9-21-16/h1-7,9H,8,10-15H2,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30138028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).