(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide

C24H29ClN2OS — CID 25010093

IUPAC(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H29ClN2OS/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+/t19-,23+/m0/s1
InChIKeyAHKHALDZHFUENB-UVYGBBKDSA-N
MW429.03 g/mol
LogP5.58
Rot. Bonds6

About (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 25010093) has the molecular formula C24H29ClN2OS and a molecular weight of 429.03 g/mol. Its IUPAC name is (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID25010093
Molecular FormulaC24H29ClN2OS
Molecular Weight429.03 g/mol
Exact Mass428.17
IUPAC Name(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H29ClN2OS/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+/t19-,23+/m0/s1
InChIKeyAHKHALDZHFUENB-UVYGBBKDSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.03
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-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-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide (CID 25010093) is (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is AHKHALDZHFUENB-UVYGBBKDSA-N. The full InChI is InChI=1S/C24H29ClN2OS/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+/t19-,23+/m0/s1.
What are the key properties of (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 429.03 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 25010093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).