(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H23N7O — CID 120937777

IUPAC(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ncccn2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H23N7O/c25-15(17(3-8-18-9-4-17)24-10-2-7-21-24)22-11-13-23(14-12-22)16-19-5-1-6-20-16/h1-2,5-7,10,18H,3-4,8-9,11-14H2
InChIKeyCYIUXSDONYSSHO-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.10
Rot. Bonds3

About (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 120937777) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID120937777
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ncccn2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H23N7O/c25-15(17(3-8-18-9-4-17)24-10-2-7-21-24)22-11-13-23(14-12-22)16-19-5-1-6-20-16/h1-2,5-7,10,18H,3-4,8-9,11-14H2
InChIKeyCYIUXSDONYSSHO-UHFFFAOYSA-N
XLogP0.10
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 120937777) is (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ncccn2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CYIUXSDONYSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-15(17(3-8-18-9-4-17)24-10-2-7-21-24)22-11-13-23(14-12-22)16-19-5-1-6-20-16/h1-2,5-7,10,18H,3-4,8-9,11-14H2.
What are the key properties of (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120937777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).