1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

C19H28N4O — CID 133462020

IUPAC1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESCc1nc2c(c(N3CCN(CC4CCCC4)C(=O)C3)n1)CCCC2
InChIInChI=1S/C19H28N4O/c1-14-20-17-9-5-4-8-16(17)19(21-14)23-11-10-22(18(24)13-23)12-15-6-2-3-7-15/h15H,2-13H2,1H3
InChIKeyGZWLFXBBSIFWPE-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.50
Rot. Bonds3

About 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (PubChem CID 133462020) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
PubChem CID133462020
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESCc1nc2c(c(N3CCN(CC4CCCC4)C(=O)C3)n1)CCCC2
InChIInChI=1S/C19H28N4O/c1-14-20-17-9-5-4-8-16(17)19(21-14)23-11-10-22(18(24)13-23)12-15-6-2-3-7-15/h15H,2-13H2,1H3
InChIKeyGZWLFXBBSIFWPE-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462296
1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133390815
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460481
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (CID 133462020) is 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is Cc1nc2c(c(N3CCN(CC4CCCC4)C(=O)C3)n1)CCCC2.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The InChIKey is GZWLFXBBSIFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-20-17-9-5-4-8-16(17)19(21-14)23-11-10-22(18(24)13-23)12-15-6-2-3-7-15/h15H,2-13H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is sourced from PubChem (CID 133462020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).