1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C23H28N4O2 — CID 155494692

IUPAC1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1
InChIInChI=1S/C23H28N4O2/c24-18(14-15-4-2-1-3-5-15)22(29)27-12-10-23(11-13-27)9-8-17-19(23)25-20(16-6-7-16)26-21(17)28/h1-5,16,18H,6-14,24H2,(H,25,26,28)/t18-/m0/s1
InChIKeyRLCURQKJWXZIAU-SFHVURJKSA-N
MW392.50 g/mol
LogP2.02
Rot. Bonds4

About 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155494692) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155494692
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1
InChIInChI=1S/C23H28N4O2/c24-18(14-15-4-2-1-3-5-15)22(29)27-12-10-23(11-13-27)9-8-17-19(23)25-20(16-6-7-16)26-21(17)28/h1-5,16,18H,6-14,24H2,(H,25,26,28)/t18-/m0/s1
InChIKeyRLCURQKJWXZIAU-SFHVURJKSA-N
XLogP2.02
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1'-[(2S)-2-hydroxy-3-phenylpropanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584164
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154823599
2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155937984
2-cyclopropyl-1'-[3-(3-fluorophenyl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817498
1'-[(3-chloro-4-methylphenyl)methyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 162634011
1'-(2-methoxybutanoyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155913730
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
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

Frequently Asked Questions

What is the IUPAC name of 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155494692) is 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCc3c2nc(C2CC2)[nH]c3=O)CC1.
What is the InChIKey of 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is RLCURQKJWXZIAU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-18(14-15-4-2-1-3-5-15)22(29)27-12-10-23(11-13-27)9-8-17-19(23)25-20(16-6-7-16)26-21(17)28/h1-5,16,18H,6-14,24H2,(H,25,26,28)/t18-/m0/s1.
What are the key properties of 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 392.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S)-2-amino-3-phenylpropanoyl]-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155494692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).