1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride

C20H30ClN5O3 — CID 154924225

IUPAC1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride
SMILESCl.O=C(CNC1CC1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1
InChIInChI=1S/C20H29N5O3.ClH/c26-16(12-21-14-2-3-14)25-7-1-5-20(13-25)6-4-15-17(20)22-19(23-18(15)27)24-8-10-28-11-9-24;/h14,21H,1-13H2,(H,22,23,27);1H
InChIKeyYCXNWSPGQWZDSS-UHFFFAOYSA-N
MW423.95 g/mol
LogP0.59
Rot. Bonds4

About 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride

1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride (PubChem CID 154924225) has the molecular formula C20H30ClN5O3 and a molecular weight of 423.95 g/mol. Its IUPAC name is 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride
PubChem CID154924225
Molecular FormulaC20H30ClN5O3
Molecular Weight423.95 g/mol
Exact Mass423.20
IUPAC Name1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride
SMILESCl.O=C(CNC1CC1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1
InChIInChI=1S/C20H29N5O3.ClH/c26-16(12-21-14-2-3-14)25-7-1-5-20(13-25)6-4-15-17(20)22-19(23-18(15)27)24-8-10-28-11-9-24;/h14,21H,1-13H2,(H,22,23,27);1H
InChIKeyYCXNWSPGQWZDSS-UHFFFAOYSA-N
XLogP0.59
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-1'-[2-(cyclopropylamino)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565744
2-morpholin-4-yl-4-oxo-N-propan-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 154819051
1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566970
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-[(5-methyl-1H-imidazol-2-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154822439
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
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769
1'-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156583638
2-tert-butyl-1'-(2-cyclohexylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816551
2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride?
The IUPAC name of 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride (CID 154924225) is 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride is Cl.O=C(CNC1CC1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1.
What is the InChIKey of 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride?
The InChIKey is YCXNWSPGQWZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3.ClH/c26-16(12-21-14-2-3-14)25-7-1-5-20(13-25)6-4-15-17(20)22-19(23-18(15)27)24-8-10-28-11-9-24;/h14,21H,1-13H2,(H,22,23,27);1H.
What are the key properties of 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride?
1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride has a molecular weight of 423.95 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(cyclopropylamino)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 154924225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).