6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride

C19H32Cl2N4O — CID 171688101

IUPAC6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c(C2CCCCN2)nc2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C19H30N4O.2ClH/c24-19-15-13-23(12-14-6-2-1-3-7-14)11-9-16(15)21-18(22-19)17-8-4-5-10-20-17;;/h14,17,20H,1-13H2,(H,21,22,24);2*1H
InChIKeyVMOVCGDNXSERSL-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.37
Rot. Bonds3

About 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride

6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride (PubChem CID 171688101) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride
PubChem CID171688101
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c(C2CCCCN2)nc2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C19H30N4O.2ClH/c24-19-15-13-23(12-14-6-2-1-3-7-14)11-9-16(15)21-18(22-19)17-8-4-5-10-20-17;;/h14,17,20H,1-13H2,(H,21,22,24);2*1H
InChIKeyVMOVCGDNXSERSL-UHFFFAOYSA-N
XLogP3.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865778
6-(cyclohexylmethyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681630
6-(cyclohexylmethyl)-2-[(2S)-1-[(3S)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137090352
2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137149576
6-(cyclohexylmethyl)-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795689
6-(cyclohex-3-en-1-ylmethyl)-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918837
2-[1-(cyclohexylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796045
2-cyclohexyl-6-[(3,5-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918520
6-[(2-chloroquinolin-3-yl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862187
2-cyclohexyl-6-[(2,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916903
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
2-cyclohexyl-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917263

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride (CID 171688101) is 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride is Cl.Cl.O=c1[nH]c(C2CCCCN2)nc2c1CN(CC1CCCCC1)CC2.
What is the InChIKey of 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is VMOVCGDNXSERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c24-19-15-13-23(12-14-6-2-1-3-7-14)11-9-16(15)21-18(22-19)17-8-4-5-10-20-17;;/h14,17,20H,1-13H2,(H,21,22,24);2*1H.
What are the key properties of 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride?
6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 171688101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).