N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C26H37N7O2 — CID 154651843

About N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 154651843) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 154651843
• Molecular Formula: C26H37N7O2
• Molecular Weight: 479.63 g/mol
• Exact Mass: 479.30
• IUPAC Name: N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: CC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N1CCC(C2CNC2)CC1
• InChI: InChI=1S/C26H37N7O2/c1-19(31-11-6-21(7-12-31)22-17-28-18-22)16-20-2-4-23(5-3-20)33-13-8-24(30-26(33)35)29-25(34)32-14-9-27-10-15-32/h2-5,8,13,19,21-22,27-28H,6-7,9-12,14-18H2,1H3,(H,29,30,34,35)
• InChIKey: PPDVZYXHYHNYTN-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 94.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.63
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 154651843) is N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is CC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N1CCC(C2CNC2)CC1.

What is the InChIKey of N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is PPDVZYXHYHNYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-19(31-11-6-21(7-12-31)22-17-28-18-22)16-20-2-4-23(5-3-20)33-13-8-24(30-26(33)35)29-25(34)32-14-9-27-10-15-32/h2-5,8,13,19,21-22,27-28H,6-7,9-12,14-18H2,1H3,(H,29,30,34,35).

What are the key properties of N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 154651843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).