2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H34N4O2 — CID 136676470

IUPAC2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H34N4O2/c1-14(2)27-12-9-19-18(13-27)22(28)25-21(24-19)15-7-10-26(11-8-15)23(29)20-16-5-3-4-6-17(16)20/h14-17,20H,3-13H2,1-2H3,(H,24,25,28)/t16-,17-/m0/s1
InChIKeyCEZGFZZIOVKERE-IRXDYDNUSA-N
MW398.55 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136676470) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136676470
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H34N4O2/c1-14(2)27-12-9-19-18(13-27)22(28)25-21(24-19)15-7-10-26(11-8-15)23(29)20-16-5-3-4-6-17(16)20/h14-17,20H,3-13H2,1-2H3,(H,24,25,28)/t16-,17-/m0/s1
InChIKeyCEZGFZZIOVKERE-IRXDYDNUSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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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
5-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92579349
5-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079503
5-[1-(Bicyclo[4.1.0]heptane-7-carbonyl)piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110226861
5-[1-[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 124819450
(10aR)-7-(cyclopropanecarbonyl)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-4-one
CID 136253585
6-[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676476
6-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676477
2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676486
2-[(2R)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676487
7-cyclohexyl-2-[(2R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136730811
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136676470) is 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)N1CCc2nc(C3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CEZGFZZIOVKERE-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-14(2)27-12-9-19-18(13-27)22(28)25-21(24-19)15-7-10-26(11-8-15)23(29)20-16-5-3-4-6-17(16)20/h14-17,20H,3-13H2,1-2H3,(H,24,25,28)/t16-,17-/m0/s1.
What are the key properties of 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 398.55 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136676470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).