4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H27ClN6O2 — CID 155038057

IUPAC4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(ncnc2N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCNCC3)CC2)N1
InChIInChI=1S/C23H27ClN6O2/c24-17-3-1-16(2-4-17)23(7-9-25-10-8-23)22(32)30-13-11-29(12-14-30)21-18-5-6-19(31)28-20(18)26-15-27-21/h1-4,15,25H,5-14H2,(H,26,27,28,31)
InChIKeyKFUWSEWJSPMPSX-UHFFFAOYSA-N
MW454.96 g/mol
LogP1.98
Rot. Bonds3

About 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155038057) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID155038057
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(ncnc2N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCNCC3)CC2)N1
InChIInChI=1S/C23H27ClN6O2/c24-17-3-1-16(2-4-17)23(7-9-25-10-8-23)22(32)30-13-11-29(12-14-30)21-18-5-6-19(31)28-20(18)26-15-27-21/h1-4,15,25H,5-14H2,(H,26,27,28,31)
InChIKeyKFUWSEWJSPMPSX-UHFFFAOYSA-N
XLogP1.98
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 155038057) is 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2c(ncnc2N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCNCC3)CC2)N1.
What is the InChIKey of 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KFUWSEWJSPMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c24-17-3-1-16(2-4-17)23(7-9-25-10-8-23)22(32)30-13-11-29(12-14-30)21-18-5-6-19(31)28-20(18)26-15-27-21/h1-4,15,25H,5-14H2,(H,26,27,28,31).
What are the key properties of 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 454.96 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-chlorophenyl)piperidine-4-carbonyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155038057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).