N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide

C25H31N3O2 — CID 164638151

IUPACN-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
SMILESO=C(C[C@H]1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NCC1CC1
InChIInChI=1S/C25H31N3O2/c29-24(27-17-19-7-8-19)15-22-14-21-5-1-2-6-23(21)25(30-22)9-12-28(13-10-25)18-20-4-3-11-26-16-20/h1-6,11,16,19,22H,7-10,12-15,17-18H2,(H,27,29)/t22-/m1/s1
InChIKeyQVGNDCMAHKKLBT-JOCHJYFZSA-N
MW405.54 g/mol
LogP3.43
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide

N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide (PubChem CID 164638151) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
PubChem CID164638151
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
SMILESO=C(C[C@H]1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NCC1CC1
InChIInChI=1S/C25H31N3O2/c29-24(27-17-19-7-8-19)15-22-14-21-5-1-2-6-23(21)25(30-22)9-12-28(13-10-25)18-20-4-3-11-26-16-20/h1-6,11,16,19,22H,7-10,12-15,17-18H2,(H,27,29)/t22-/m1/s1
InChIKeyQVGNDCMAHKKLBT-JOCHJYFZSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide (CID 164638151) is N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide is O=C(C[C@H]1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The InChIKey is QVGNDCMAHKKLBT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(27-17-19-7-8-19)15-22-14-21-5-1-2-6-23(21)25(30-22)9-12-28(13-10-25)18-20-4-3-11-26-16-20/h1-6,11,16,19,22H,7-10,12-15,17-18H2,(H,27,29)/t22-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide is sourced from PubChem (CID 164638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).