N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine

C21H33ClN4O — CID 120916147

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESClc1cccc(N2CCN(CCNC3CCCC3C3COCCN3)CC2)c1
InChIInChI=1S/C21H33ClN4O/c22-17-3-1-4-18(15-17)26-12-10-25(11-13-26)9-7-23-20-6-2-5-19(20)21-16-27-14-8-24-21/h1,3-4,15,19-21,23-24H,2,5-14,16H2
InChIKeyJWQXKKJDUHKWRO-UHFFFAOYSA-N
MW392.98 g/mol
LogP2.21
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120916147) has the molecular formula C21H33ClN4O and a molecular weight of 392.98 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120916147
Molecular FormulaC21H33ClN4O
Molecular Weight392.98 g/mol
Exact Mass392.23
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESClc1cccc(N2CCN(CCNC3CCCC3C3COCCN3)CC2)c1
InChIInChI=1S/C21H33ClN4O/c22-17-3-1-4-18(15-17)26-12-10-25(11-13-26)9-7-23-20-6-2-5-19(20)21-16-27-14-8-24-21/h1,3-4,15,19-21,23-24H,2,5-14,16H2
InChIKeyJWQXKKJDUHKWRO-UHFFFAOYSA-N
XLogP2.21
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120916147) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine is Clc1cccc(N2CCN(CCNC3CCCC3C3COCCN3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is JWQXKKJDUHKWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4O/c22-17-3-1-4-18(15-17)26-12-10-25(11-13-26)9-7-23-20-6-2-5-19(20)21-16-27-14-8-24-21/h1,3-4,15,19-21,23-24H,2,5-14,16H2.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 392.98 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120916147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).