2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride

C20H29ClN4O2 — CID 155937984

IUPAC2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1
InChIInChI=1S/C20H28N4O2.ClH/c25-18-14-6-7-20(16(14)22-17(23-18)13-4-5-13)8-11-24(12-9-20)19(26)15-3-1-2-10-21-15;/h13,15,21H,1-12H2,(H,22,23,25);1H
InChIKeyAPYSETKEBQCUSY-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.02
Rot. Bonds2

About 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride

2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride (PubChem CID 155937984) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
PubChem CID155937984
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1
InChIInChI=1S/C20H28N4O2.ClH/c25-18-14-6-7-20(16(14)22-17(23-18)13-4-5-13)8-11-24(12-9-20)19(26)15-3-1-2-10-21-15;/h13,15,21H,1-12H2,(H,22,23,25);1H
InChIKeyAPYSETKEBQCUSY-UHFFFAOYSA-N
XLogP2.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride with MolForge

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Related Compounds

2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 163338083
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494692
2-cyclopropyl-1'-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 172664222
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-amino-1'-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;dihydrochloride
CID 155940649
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570528
2-cyclopropyl-1'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566323
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494932

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride (CID 155937984) is 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride is Cl.O=C(C1CCCCN1)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1.
What is the InChIKey of 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The InChIKey is APYSETKEBQCUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c25-18-14-6-7-20(16(14)22-17(23-18)13-4-5-13)8-11-24(12-9-20)19(26)15-3-1-2-10-21-15;/h13,15,21H,1-12H2,(H,22,23,25);1H.
What are the key properties of 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 155937984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).