1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride

C19H26ClN5O — CID 120844556

IUPAC1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(Cc2nccn2-c2ccccc2)C1
InChIInChI=1S/C19H25N5O.ClH/c25-19-13-20-8-11-24(19)17-7-4-10-22(14-17)15-18-21-9-12-23(18)16-5-2-1-3-6-16;/h1-3,5-6,9,12,17,20H,4,7-8,10-11,13-15H2;1H
InChIKeyTXZVHKUMTXNOMJ-UHFFFAOYSA-N
MW375.90 g/mol
LogP1.69
Rot. Bonds4

About 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride

1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride (PubChem CID 120844556) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride
PubChem CID120844556
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(Cc2nccn2-c2ccccc2)C1
InChIInChI=1S/C19H25N5O.ClH/c25-19-13-20-8-11-24(19)17-7-4-10-22(14-17)15-18-21-9-12-23(18)16-5-2-1-3-6-16;/h1-3,5-6,9,12,17,20H,4,7-8,10-11,13-15H2;1H
InChIKeyTXZVHKUMTXNOMJ-UHFFFAOYSA-N
XLogP1.69
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
CID 120844579
3-methyl-6-[[3-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1,3-benzothiazol-2-one;hydrochloride
CID 120844616
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046
1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844631
1-[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844575

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride (CID 120844556) is 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1CCCN(Cc2nccn2-c2ccccc2)C1.
What is the InChIKey of 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride?
The InChIKey is TXZVHKUMTXNOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c25-19-13-20-8-11-24(19)17-7-4-10-22(14-17)15-18-21-9-12-23(18)16-5-2-1-3-6-16;/h1-3,5-6,9,12,17,20H,4,7-8,10-11,13-15H2;1H.
What are the key properties of 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride?
1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120844556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).