piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride

C14H23Cl2N5O — CID 119827947

IUPACpiperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-13(12-2-6-15-7-3-12)18-8-10-19(11-9-18)14-16-4-1-5-17-14;;/h1,4-5,12,15H,2-3,6-11H2;2*1H
InChIKeyKKNVNOWVPXRUTI-UHFFFAOYSA-N
MW348.28 g/mol
LogP0.97
Rot. Bonds2

About piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride

piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119827947) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119827947
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Namepiperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-13(12-2-6-15-7-3-12)18-8-10-19(11-9-18)14-16-4-1-5-17-14;;/h1,4-5,12,15H,2-3,6-11H2;2*1H
InChIKeyKKNVNOWVPXRUTI-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride (CID 119827947) is piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CCNCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is KKNVNOWVPXRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c20-13(12-2-6-15-7-3-12)18-8-10-19(11-9-18)14-16-4-1-5-17-14;;/h1,4-5,12,15H,2-3,6-11H2;2*1H.
What are the key properties of piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119827947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).