4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide

C19H28ClN3O2 — CID 110427003

IUPAC4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-2-22-11-13-23(14-12-22)19(25)9-10-21-18(24)8-4-6-16-5-3-7-17(20)15-16/h3,5,7,15H,2,4,6,8-14H2,1H3,(H,21,24)
InChIKeyLUOPXVGPBCEKLT-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.33
Rot. Bonds8

About 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide

4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide (PubChem CID 110427003) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
PubChem CID110427003
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-2-22-11-13-23(14-12-22)19(25)9-10-21-18(24)8-4-6-16-5-3-7-17(20)15-16/h3,5,7,15H,2,4,6,8-14H2,1H3,(H,21,24)
InChIKeyLUOPXVGPBCEKLT-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide (CID 110427003) is 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide is CCN1CCN(C(=O)CCNC(=O)CCCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide?
The InChIKey is LUOPXVGPBCEKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-2-22-11-13-23(14-12-22)19(25)9-10-21-18(24)8-4-6-16-5-3-7-17(20)15-16/h3,5,7,15H,2,4,6,8-14H2,1H3,(H,21,24).
What are the key properties of 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide?
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide has a molecular weight of 365.91 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide is sourced from PubChem (CID 110427003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).