3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride

C17H28Cl2N4O4 — CID 18969441

IUPAC3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCOC1CCN(C(=O)c2cn(C3CCNCC3)cn2)CC1
InChIInChI=1S/C17H26N4O4.2ClH/c22-16(23)5-10-25-14-3-8-20(9-4-14)17(24)15-11-21(12-19-15)13-1-6-18-7-2-13;;/h11-14,18H,1-10H2,(H,22,23);2*1H
InChIKeyHNZPDTIUGYXVNL-UHFFFAOYSA-N
MW423.34 g/mol
LogP1.75
Rot. Bonds6

About 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride

3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride (PubChem CID 18969441) has the molecular formula C17H28Cl2N4O4 and a molecular weight of 423.34 g/mol. Its IUPAC name is 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride
PubChem CID18969441
Molecular FormulaC17H28Cl2N4O4
Molecular Weight423.34 g/mol
Exact Mass422.15
IUPAC Name3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCOC1CCN(C(=O)c2cn(C3CCNCC3)cn2)CC1
InChIInChI=1S/C17H26N4O4.2ClH/c22-16(23)5-10-25-14-3-8-20(9-4-14)17(24)15-11-21(12-19-15)13-1-6-18-7-2-13;;/h11-14,18H,1-10H2,(H,22,23);2*1H
InChIKeyHNZPDTIUGYXVNL-UHFFFAOYSA-N
XLogP1.75
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyclopropylimidazol-4-yl)-morpholin-4-ylmethanone
CID 141277117
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875743
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
3-[1-(2,5-dibromothiophene-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 107949209
3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63876641
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 81140994

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride?
The IUPAC name of 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride (CID 18969441) is 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride.
What is the SMILES notation for 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride?
The canonical SMILES for 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride is Cl.Cl.O=C(O)CCOC1CCN(C(=O)c2cn(C3CCNCC3)cn2)CC1.
What is the InChIKey of 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride?
The InChIKey is HNZPDTIUGYXVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4.2ClH/c22-16(23)5-10-25-14-3-8-20(9-4-14)17(24)15-11-21(12-19-15)13-1-6-18-7-2-13;;/h11-14,18H,1-10H2,(H,22,23);2*1H.
What are the key properties of 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride?
3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride has a molecular weight of 423.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride is sourced from PubChem (CID 18969441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).