7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H34N4O2 — CID 136730812

IUPAC7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2
InChIInChI=1S/C23H34N4O2/c1-15-13-18(15)23(29)27-11-6-5-9-20(27)21-24-19-14-26(16-7-3-2-4-8-16)12-10-17(19)22(28)25-21/h15-16,18,20H,2-14H2,1H3,(H,24,25,28)/t15-,18-,20+/m0/s1
InChIKeyJCOVILCFVSITPQ-ZAAXVRCTSA-N
MW398.55 g/mol
LogP3.17
Rot. Bonds3

About 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136730812) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136730812
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2
InChIInChI=1S/C23H34N4O2/c1-15-13-18(15)23(29)27-11-6-5-9-20(27)21-24-19-14-26(16-7-3-2-4-8-16)12-10-17(19)22(28)25-21/h15-16,18,20H,2-14H2,1H3,(H,24,25,28)/t15-,18-,20+/m0/s1
InChIKeyJCOVILCFVSITPQ-ZAAXVRCTSA-N
XLogP3.17
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
2-(cyclopropylmethyl)-7-[(1-isopropyl-4-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217057
3-{[2-(cyclopropylmethyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(3H)-yl]carbonyl}-1-piperidinecarboxamide
CID 136218514
2-(cyclopropylmethyl)-7-[(1-isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232514
2-(cyclopropylmethyl)-7-[(1-isopropyl-3-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136244440
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
7-(Cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796586
2-[1-(Cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796627
7-Cyclohexyl-2-(1-propanoylpyrrolidin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796967
2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135990843
2-(cyclopropylmethyl)-7-[(1-methyl-2-azepanyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216824
2-(cyclopropylmethyl)-7-[(1-ethyl-4-piperidinyl)acetyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217014

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136730812) is 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2.
What is the InChIKey of 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JCOVILCFVSITPQ-ZAAXVRCTSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-15-13-18(15)23(29)27-11-6-5-9-20(27)21-24-19-14-26(16-7-3-2-4-8-16)12-10-17(19)22(28)25-21/h15-16,18,20H,2-14H2,1H3,(H,24,25,28)/t15-,18-,20+/m0/s1.
What are the key properties of 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 398.55 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-[(2R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136730812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).