7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one

C22H29N3O2 — CID 155454359

IUPAC7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one
SMILESO=C1NCC2(CCCC2)c2ccc(NC3CCN(C(=O)C4CC4)CC3)cc21
InChIInChI=1S/C22H29N3O2/c26-20-18-13-17(5-6-19(18)22(14-23-20)9-1-2-10-22)24-16-7-11-25(12-8-16)21(27)15-3-4-15/h5-6,13,15-16,24H,1-4,7-12,14H2,(H,23,26)
InChIKeyKHQIGKQTJJKSQN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.05
Rot. Bonds3

About 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one

7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one (PubChem CID 155454359) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one
PubChem CID155454359
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one
SMILESO=C1NCC2(CCCC2)c2ccc(NC3CCN(C(=O)C4CC4)CC3)cc21
InChIInChI=1S/C22H29N3O2/c26-20-18-13-17(5-6-19(18)22(14-23-20)9-1-2-10-22)24-16-7-11-25(12-8-16)21(27)15-3-4-15/h5-6,13,15-16,24H,1-4,7-12,14H2,(H,23,26)
InChIKeyKHQIGKQTJJKSQN-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one with MolForge

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Related Compounds

[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
CID 154870417
1-[4-[(1-deuteriospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-yl)amino]piperidin-1-yl]ethanone
CID 175720205
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
7-[(1-acetylpiperidin-4-yl)amino]-2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]spiro[3H-isoquinoline-4,1'-cyclobutane]-1-one
CID 155454407
7-[(1-acetylpiperidin-4-yl)amino]-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]spiro[3H-isoquinoline-4,1'-cyclobutane]-1-one
CID 175513282
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
7-[(1-acetylpiperidin-4-yl)amino]-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 139483848
[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014469
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one?
The IUPAC name of 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one (CID 155454359) is 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one.
What is the SMILES notation for 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one?
The canonical SMILES for 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one is O=C1NCC2(CCCC2)c2ccc(NC3CCN(C(=O)C4CC4)CC3)cc21.
What is the InChIKey of 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one?
The InChIKey is KHQIGKQTJJKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-20-18-13-17(5-6-19(18)22(14-23-20)9-1-2-10-22)24-16-7-11-25(12-8-16)21(27)15-3-4-15/h5-6,13,15-16,24H,1-4,7-12,14H2,(H,23,26).
What are the key properties of 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one?
7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one is sourced from PubChem (CID 155454359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).