1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one

C14H22ClN5O — CID 120844531

IUPAC1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCn1ncc(Cl)c1CN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C14H22ClN5O/c1-18-13(12(15)7-17-18)10-19-5-2-3-11(9-19)20-6-4-16-8-14(20)21/h7,11,16H,2-6,8-10H2,1H3
InChIKeyOSTSTCXMUXUJKG-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.47
Rot. Bonds3

About 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one

1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844531) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844531
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCn1ncc(Cl)c1CN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C14H22ClN5O/c1-18-13(12(15)7-17-18)10-19-5-2-3-11(9-19)20-6-4-16-8-14(20)21/h7,11,16H,2-6,8-10H2,1H3
InChIKeyOSTSTCXMUXUJKG-UHFFFAOYSA-N
XLogP0.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one (CID 120844531) is 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one is Cn1ncc(Cl)c1CN1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is OSTSTCXMUXUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-18-13(12(15)7-17-18)10-19-5-2-3-11(9-19)20-6-4-16-8-14(20)21/h7,11,16H,2-6,8-10H2,1H3.
What are the key properties of 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 311.82 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).