N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C25H29N3O3 — CID 131645417

About N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 131645417) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• PubChem CID: 131645417
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• SMILES: O=C(CC1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21)NCC1CC1
• InChI: InChI=1S/C25H29N3O3/c29-23(27-16-18-7-8-18)14-20-15-25(31-22-6-2-1-5-21(20)22)9-12-28(13-10-25)24(30)19-4-3-11-26-17-19/h1-6,11,17-18,20H,7-10,12-16H2,(H,27,29)
• InChIKey: ZUSXZKSZIOJXRM-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 131645417) is N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is O=C(CC1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21)NCC1CC1.

What is the InChIKey of N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The InChIKey is ZUSXZKSZIOJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-23(27-16-18-7-8-18)14-20-15-25(31-22-6-2-1-5-21(20)22)9-12-28(13-10-25)24(30)19-4-3-11-26-17-19/h1-6,11,17-18,20H,7-10,12-16H2,(H,27,29).

What are the key properties of N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 131645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).