N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide

C30H41ClN4O2 — CID 142157045

About N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide

N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide (PubChem CID 142157045) has the molecular formula C30H41ClN4O2 and a molecular weight of 525.14 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide
• PubChem CID: 142157045
• Molecular Formula: C30H41ClN4O2
• Molecular Weight: 525.14 g/mol
• Exact Mass: 524.29
• IUPAC Name: N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide
• SMILES: C=CC1=C(C=C)CC(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)N2CCN(C(C)C3CCCC3)CC2)NC1
• InChI: InChI=1S/C30H41ClN4O2/c1-4-23-19-27(32-20-24(23)5-2)29(36)33-28(18-22-10-12-26(31)13-11-22)30(37)35-16-14-34(15-17-35)21(3)25-8-6-7-9-25/h4-5,10-13,21,25,27-28,32H,1-2,6-9,14-20H2,3H3,(H,33,36)
• InChIKey: SNCMDKHWICSNQG-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.14
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide?

The IUPAC name of N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide (CID 142157045) is N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide.

What is the SMILES notation for N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide?

The canonical SMILES for N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide is C=CC1=C(C=C)CC(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)N2CCN(C(C)C3CCCC3)CC2)NC1.

What is the InChIKey of N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide?

The InChIKey is SNCMDKHWICSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41ClN4O2/c1-4-23-19-27(32-20-24(23)5-2)29(36)33-28(18-22-10-12-26(31)13-11-22)30(37)35-16-14-34(15-17-35)21(3)25-8-6-7-9-25/h4-5,10-13,21,25,27-28,32H,1-2,6-9,14-20H2,3H3,(H,33,36).

What are the key properties of N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide?

N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide has a molecular weight of 525.14 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chlorophenyl)-1-[4-(1-cyclopentylethyl)piperazin-1-yl]-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide is sourced from PubChem (CID 142157045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).