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

C26H33N3O2 — CID 146048567

IUPACN-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NC1CCCC1
InChIInChI=1S/C26H33N3O2/c30-25(28-22-8-2-3-9-22)17-23-16-21-7-1-4-10-24(21)26(31-23)11-14-29(15-12-26)19-20-6-5-13-27-18-20/h1,4-7,10,13,18,22-23H,2-3,8-9,11-12,14-17,19H2,(H,28,30)
InChIKeyQYBCMIHBEMEDDX-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.96
Rot. Bonds5

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

N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide (PubChem CID 146048567) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
PubChem CID146048567
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NC1CCCC1
InChIInChI=1S/C26H33N3O2/c30-25(28-22-8-2-3-9-22)17-23-16-21-7-1-4-10-24(21)26(31-23)11-14-29(15-12-26)19-20-6-5-13-27-18-20/h1,4-7,10,13,18,22-23H,2-3,8-9,11-12,14-17,19H2,(H,28,30)
InChIKeyQYBCMIHBEMEDDX-UHFFFAOYSA-N
XLogP3.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375892
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
N-cyclopropyl-2-[(16S,17S)-2-oxo-4-(pyridin-3-ylmethyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]acetamide
CID 171135639
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide (CID 146048567) is N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide is O=C(CC1Cc2ccccc2C2(CCN(Cc3cccnc3)CC2)O1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
The InChIKey is QYBCMIHBEMEDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-25(28-22-8-2-3-9-22)17-23-16-21-7-1-4-10-24(21)26(31-23)11-14-29(15-12-26)19-20-6-5-13-27-18-20/h1,4-7,10,13,18,22-23H,2-3,8-9,11-12,14-17,19H2,(H,28,30).
What are the key properties of N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide?
N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide is sourced from PubChem (CID 146048567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).