N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide

C21H24Cl2N4O2 — CID 56525983

IUPACN-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H24Cl2N4O2/c22-15-6-7-18(23)19(14-15)26-20(28)10-13-27-11-8-17(9-12-27)25-21(29)24-16-4-2-1-3-5-16/h1-7,14,17H,8-13H2,(H,26,28)(H2,24,25,29)
InChIKeyKCXIDVAUGJUVTR-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.61
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide (PubChem CID 56525983) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
PubChem CID56525983
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC NameN-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H24Cl2N4O2/c22-15-6-7-18(23)19(14-15)26-20(28)10-13-27-11-8-17(9-12-27)25-21(29)24-16-4-2-1-3-5-16/h1-7,14,17H,8-13H2,(H,26,28)(H2,24,25,29)
InChIKeyKCXIDVAUGJUVTR-UHFFFAOYSA-N
XLogP4.61
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47090143
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide (CID 56525983) is N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide is O=C(CCN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide?
The InChIKey is KCXIDVAUGJUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c22-15-6-7-18(23)19(14-15)26-20(28)10-13-27-11-8-17(9-12-27)25-21(29)24-16-4-2-1-3-5-16/h1-7,14,17H,8-13H2,(H,26,28)(H2,24,25,29).
What are the key properties of N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide has a molecular weight of 435.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 56525983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).