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

C23H32N4O3 — CID 136774740

IUPAC6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O3/c28-21-17-14-26(22(29)15-6-2-1-3-7-15)13-11-18(17)24-20(25-21)19-8-4-5-12-27(19)23(30)16-9-10-16/h15-16,19H,1-14H2,(H,24,25,28)/t19-/m0/s1
InChIKeyXBQLHSAIVDBXPK-IBGZPJMESA-N
MW412.53 g/mol
LogP2.70
Rot. Bonds3

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

6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774740) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774740
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O3/c28-21-17-14-26(22(29)15-6-2-1-3-7-15)13-11-18(17)24-20(25-21)19-8-4-5-12-27(19)23(30)16-9-10-16/h15-16,19H,1-14H2,(H,24,25,28)/t19-/m0/s1
InChIKeyXBQLHSAIVDBXPK-IBGZPJMESA-N
XLogP2.70
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774740) is 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XBQLHSAIVDBXPK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N4O3/c28-21-17-14-26(22(29)15-6-2-1-3-7-15)13-11-18(17)24-20(25-21)19-8-4-5-12-27(19)23(30)16-9-10-16/h15-16,19H,1-14H2,(H,24,25,28)/t19-/m0/s1.
What are the key properties of 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 412.53 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).