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

C17H26ClN3O — CID 60503579

IUPACN-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
SMILESCC(C)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O/c1-14(2)13-21-11-9-20(10-12-21)8-7-17(22)19-16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyBUTXVLHZQTWOKY-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.94
Rot. Bonds6

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

N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide (PubChem CID 60503579) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
PubChem CID60503579
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
SMILESCC(C)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O/c1-14(2)13-21-11-9-20(10-12-21)8-7-17(22)19-16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyBUTXVLHZQTWOKY-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 60501808
(2R)-4-(4-chloroanilino)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid
CID 95389490
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30721853
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide (CID 60503579) is N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide is CC(C)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide?
The InChIKey is BUTXVLHZQTWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-14(2)13-21-11-9-20(10-12-21)8-7-17(22)19-16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide?
N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide has a molecular weight of 323.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60503579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).