2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one

C14H21N3O — CID 135618189

IUPAC2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C14H21N3O/c18-13-11-7-3-1-4-8-12(11)15-14(16-13)17-9-5-2-6-10-17/h1-10H2,(H,15,16,18)
InChIKeyGLKUIWQFTRKULI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.03
Rot. Bonds1

About 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one

2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one (PubChem CID 135618189) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
PubChem CID135618189
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCCCC2
InChIInChI=1S/C14H21N3O/c18-13-11-7-3-1-4-8-12(11)15-14(16-13)17-9-5-2-6-10-17/h1-10H2,(H,15,16,18)
InChIKeyGLKUIWQFTRKULI-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one with MolForge

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Related Compounds

Dimethirimol
CID 135424353
4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135417158
5H-Cyclopentapyrimidin-4-ol, 6,7-dihydro-2-(4-methyl-1-piperazinyl)-
CID 135445467
4-Quinazolinol, 5,6,7,8-tetrahydro-2-morpholino-
CID 135400109
5,6,7,8-Tetrahydro-2-(1-piperidinyl)-4(3H)-quinazolinone
CID 135417546
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417580
5-butyl-6-methyl-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-ol
CID 135418935
5-Heptyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinol
CID 135457110
6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol
CID 135462710
2-(4-ethylpiperazin-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135644652
5H-Cycloheptapyrimidin-4-ol, 6,7,8,9-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135618186
1,2,3,4,7,8,9,10-octahydro-6H-pyrimido[2,1-b]quinazolin-6-one
CID 135443711

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one (CID 135618189) is 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2c1CCCCC2.
What is the InChIKey of 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one?
The InChIKey is GLKUIWQFTRKULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-13-11-7-3-1-4-8-12(11)15-14(16-13)17-9-5-2-6-10-17/h1-10H2,(H,15,16,18).
What are the key properties of 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one?
2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one is sourced from PubChem (CID 135618189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).