[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride

C17H33Cl2N5O3 — CID 174395143

IUPAC[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
SMILESCC(=O)ON1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C17H31N5O3.2ClH/c1-14(23)25-22-8-4-15(5-9-22)19-17(24)21-12-10-20(11-13-21)16-2-6-18-7-3-16;;/h15-16,18H,2-13H2,1H3,(H,19,24);2*1H
InChIKeyMDIARAGLMAMHJU-UHFFFAOYSA-N
MW426.39 g/mol
LogP0.85
Rot. Bonds3

About [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride

[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride (PubChem CID 174395143) has the molecular formula C17H33Cl2N5O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride.

Molecular Properties

Compound Name[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
PubChem CID174395143
Molecular FormulaC17H33Cl2N5O3
Molecular Weight426.39 g/mol
Exact Mass425.20
IUPAC Name[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
SMILESCC(=O)ON1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C17H31N5O3.2ClH/c1-14(23)25-22-8-4-15(5-9-22)19-17(24)21-12-10-20(11-13-21)16-2-6-18-7-3-16;;/h15-16,18H,2-13H2,1H3,(H,19,24);2*1H
InChIKeyMDIARAGLMAMHJU-UHFFFAOYSA-N
XLogP0.85
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
CID 67762666
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154904810
(4-ethoxypiperidin-1-yl)-(4-piperidin-4-ylpiperazin-1-yl)methanone;methyl acetate;dihydrochloride
CID 174395615
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
CID 174493543
1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid
CID 67598648
methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
CID 67762871

Frequently Asked Questions

What is the IUPAC name of [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride?
The IUPAC name of [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride (CID 174395143) is [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride.
What is the SMILES notation for [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride?
The canonical SMILES for [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride is CC(=O)ON1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl.
What is the InChIKey of [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride?
The InChIKey is MDIARAGLMAMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3.2ClH/c1-14(23)25-22-8-4-15(5-9-22)19-17(24)21-12-10-20(11-13-21)16-2-6-18-7-3-16;;/h15-16,18H,2-13H2,1H3,(H,19,24);2*1H.
What are the key properties of [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride?
[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride is sourced from PubChem (CID 174395143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).