N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C27H38N6O — CID 53188806

About N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188806) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
• PubChem CID: 53188806
• Molecular Formula: C27H38N6O
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.31
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
• SMILES: O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C27H38N6O/c34-27(31-24-12-14-32(15-13-24)19-22-4-2-1-3-5-22)9-6-21-10-16-33(17-11-21)26-18-25(28-20-29-26)30-23-7-8-23/h1-5,18,20-21,23-24H,6-17,19H2,(H,31,34)(H,28,29,30)
• InChIKey: BICUCZZUJGSLAJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 73.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188806) is N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?

The InChIKey is BICUCZZUJGSLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O/c34-27(31-24-12-14-32(15-13-24)19-22-4-2-1-3-5-22)9-6-21-10-16-33(17-11-21)26-18-25(28-20-29-26)30-23-7-8-23/h1-5,18,20-21,23-24H,6-17,19H2,(H,31,34)(H,28,29,30).

What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?

N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 462.64 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).