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

C23H31N5O — CID 95213249

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

(3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95213249) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 95213249
• Molecular Formula: C23H31N5O
• Molecular Weight: 393.54 g/mol
• Exact Mass: 393.25
• IUPAC Name: (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: CN(C)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
• InChI: InChI=1S/C23H31N5O/c1-27(2)15-13-24-23(29)18-10-7-14-28(16-18)22-19-11-6-12-20(19)25-21(26-22)17-8-4-3-5-9-17/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H,24,29)/t18-/m0/s1
• InChIKey: VQTONSCHSMQMJY-SFHVURJKSA-N
• XLogP: 2.53
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.54
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 95213249) is (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is CN(C)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1.

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

The InChIKey is VQTONSCHSMQMJY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N5O/c1-27(2)15-13-24-23(29)18-10-7-14-28(16-18)22-19-11-6-12-20(19)25-21(26-22)17-8-4-3-5-9-17/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H,24,29)/t18-/m0/s1.

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

(3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95213249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).