1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid

C24H30N4O4 — CID 154922308

IUPAC1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid
SMILESCOCC(=O)N1CCC2(CCc3c(NC4CC4)nc(-c4ccccc4)nc32)CC1.O=CO
InChIInChI=1S/C23H28N4O2.CH2O2/c1-29-15-19(28)27-13-11-23(12-14-27)10-9-18-20(23)25-21(16-5-3-2-4-6-16)26-22(18)24-17-7-8-17;2-1-3/h2-6,17H,7-15H2,1H3,(H,24,25,26);1H,(H,2,3)
InChIKeyCCSLGIJKDIHGGV-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.87
Rot. Bonds5

About 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid

1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid (PubChem CID 154922308) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid
PubChem CID154922308
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid
SMILESCOCC(=O)N1CCC2(CCc3c(NC4CC4)nc(-c4ccccc4)nc32)CC1.O=CO
InChIInChI=1S/C23H28N4O2.CH2O2/c1-29-15-19(28)27-13-11-23(12-14-27)10-9-18-20(23)25-21(16-5-3-2-4-6-16)26-22(18)24-17-7-8-17;2-1-3/h2-6,17H,7-15H2,1H3,(H,24,25,26);1H,(H,2,3)
InChIKeyCCSLGIJKDIHGGV-UHFFFAOYSA-N
XLogP2.87
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;1-[4-[(1-methylpiperidin-3-yl)amino]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]ethanone
CID 154921448
2-[4-[(2,2-difluorocyclopropyl)methylamino]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]ethanol;formic acid
CID 154922257
1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
1'-(2-methoxybutanoyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155913730
(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160576
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123860239
N-cyclopropyl-7-methylsulfonyl-2-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97413484

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid?
The IUPAC name of 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid (CID 154922308) is 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid.
What is the SMILES notation for 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid?
The canonical SMILES for 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid is COCC(=O)N1CCC2(CCc3c(NC4CC4)nc(-c4ccccc4)nc32)CC1.O=CO.
What is the InChIKey of 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid?
The InChIKey is CCSLGIJKDIHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.CH2O2/c1-29-15-19(28)27-13-11-23(12-14-27)10-9-18-20(23)25-21(16-5-3-2-4-6-16)26-22(18)24-17-7-8-17;2-1-3/h2-6,17H,7-15H2,1H3,(H,24,25,26);1H,(H,2,3).
What are the key properties of 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid?
1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid has a molecular weight of 438.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl]-2-methoxyethanone;formic acid is sourced from PubChem (CID 154922308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).