(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide

C25H36Cl2N4O2 — CID 44529130

IUPAC(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C25H36Cl2N4O2/c26-22-10-8-19(18-23(22)27)9-11-24(32)28-14-4-1-5-15-31-16-12-21(13-17-31)30-25(33)29-20-6-2-3-7-20/h8-11,18,20-21H,1-7,12-17H2,(H,28,32)(H2,29,30,33)/b11-9+
InChIKeyZJUOUYLBADLLMG-PKNBQFBNSA-N
MW495.50 g/mol
LogP5.00
Rot. Bonds10

About (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 44529130) has the molecular formula C25H36Cl2N4O2 and a molecular weight of 495.50 g/mol. Its IUPAC name is (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID44529130
Molecular FormulaC25H36Cl2N4O2
Molecular Weight495.50 g/mol
Exact Mass494.22
IUPAC Name(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C25H36Cl2N4O2/c26-22-10-8-19(18-23(22)27)9-11-24(32)28-14-4-1-5-15-31-16-12-21(13-17-31)30-25(33)29-20-6-2-3-7-20/h8-11,18,20-21H,1-7,12-17H2,(H,28,32)(H2,29,30,33)/b11-9+
InChIKeyZJUOUYLBADLLMG-PKNBQFBNSA-N
XLogP5.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide 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 (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide (CID 44529130) is (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(NC(=O)NC2CCCC2)CC1.
What is the InChIKey of (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is ZJUOUYLBADLLMG-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H36Cl2N4O2/c26-22-10-8-19(18-23(22)27)9-11-24(32)28-14-4-1-5-15-31-16-12-21(13-17-31)30-25(33)29-20-6-2-3-7-20/h8-11,18,20-21H,1-7,12-17H2,(H,28,32)(H2,29,30,33)/b11-9+.
What are the key properties of (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 495.50 g/mol, XLogP of 5.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 44529130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).