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

C23H29N3O — CID 154823599

IUPAC2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H29N3O/c27-22-19-11-13-23(20(19)24-21(25-22)18-9-10-18)12-5-15-26(16-23)14-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,24,25,27)
InChIKeyQZRWRSGITNMFKT-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.56
Rot. Bonds5

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

2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154823599) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154823599
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H29N3O/c27-22-19-11-13-23(20(19)24-21(25-22)18-9-10-18)12-5-15-26(16-23)14-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,24,25,27)
InChIKeyQZRWRSGITNMFKT-UHFFFAOYSA-N
XLogP3.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-1'-[3-(3-fluorophenyl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817498
1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494692
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 154563618
2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410
4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
CID 154570182
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154823599) is 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=c1[nH]c(C2CC2)nc2c1CCC21CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is QZRWRSGITNMFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-22-19-11-13-23(20(19)24-21(25-22)18-9-10-18)12-5-15-26(16-23)14-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,24,25,27).
What are the key properties of 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 363.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154823599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).