1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide

C24H31N5O — CID 95202898

About 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide

1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide (PubChem CID 95202898) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide
• PubChem CID: 95202898
• Molecular Formula: C24H31N5O
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.25
• IUPAC Name: 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide
• SMILES: O=C(N[C@H]1CCCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
• InChI: InChI=1S/C24H31N5O/c30-24(26-19-8-5-13-25-16-19)18-11-14-29(15-12-18)23-20-9-4-10-21(20)27-22(28-23)17-6-2-1-3-7-17/h1-3,6-7,18-19,25H,4-5,8-16H2,(H,26,30)/t19-/m0/s1
• InChIKey: LUANSYHHCURVMS-IBGZPJMESA-N
• XLogP: 2.72
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide (CID 95202898) is 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide is O=C(N[C@H]1CCCNC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.

What is the InChIKey of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide?

The InChIKey is LUANSYHHCURVMS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N5O/c30-24(26-19-8-5-13-25-16-19)18-11-14-29(15-12-18)23-20-9-4-10-21(20)27-22(28-23)17-6-2-1-3-7-17/h1-3,6-7,18-19,25H,4-5,8-16H2,(H,26,30)/t19-/m0/s1.

What are the key properties of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide?

1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).