7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide

C19H29ClN4O2 — CID 119871471

IUPAC7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(26)15-22-18(25)5-3-1-2-4-10-21/h6-9H,1-5,10-15,21H2,(H,22,25)
InChIKeyUUMJSNUXYLSQCA-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.01
Rot. Bonds9

About 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide

7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide (PubChem CID 119871471) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
PubChem CID119871471
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(26)15-22-18(25)5-3-1-2-4-10-21/h6-9H,1-5,10-15,21H2,(H,22,25)
InChIKeyUUMJSNUXYLSQCA-UHFFFAOYSA-N
XLogP2.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328
6-amino-N-(2-oxo-2-piperidin-1-ylethyl)hexanamide
CID 112687717
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide (CID 119871471) is 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide is NCCCCCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide?
The InChIKey is UUMJSNUXYLSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(26)15-22-18(25)5-3-1-2-4-10-21/h6-9H,1-5,10-15,21H2,(H,22,25).
What are the key properties of 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide?
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide has a molecular weight of 380.92 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide is sourced from PubChem (CID 119871471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).