1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride

C20H34ClN3O4 — CID 139679421

IUPAC1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)C1
InChIInChI=1S/C20H33N3O4.ClH/c24-18(6-5-15-7-9-21-10-8-15)22-11-1-3-16(13-22)19(25)23-12-2-4-17(14-23)20(26)27;/h15-17,21H,1-14H2,(H,26,27);1H/t16-,17?;/m1./s1
InChIKeyFKQZDTMJZDIHCQ-RBMDBAKPSA-N
MW415.96 g/mol
LogP1.75
Rot. Bonds5

About 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride

1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 139679421) has the molecular formula C20H34ClN3O4 and a molecular weight of 415.96 g/mol. Its IUPAC name is 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID139679421
Molecular FormulaC20H34ClN3O4
Molecular Weight415.96 g/mol
Exact Mass415.22
IUPAC Name1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)C1
InChIInChI=1S/C20H33N3O4.ClH/c24-18(6-5-15-7-9-21-10-8-15)22-11-1-3-16(13-22)19(25)23-12-2-4-17(14-23)20(26)27;/h15-17,21H,1-14H2,(H,26,27);1H/t16-,17?;/m1./s1
InChIKeyFKQZDTMJZDIHCQ-RBMDBAKPSA-N
XLogP1.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.96
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

3-{[1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9801767
3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44316522
(R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-butyric acid
CID 44366226
4-Oxo-1-[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-piperidine-3-carboxylic acid
CID 15887958
3-{Methyl-[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 22611774
3-[[1-(3-Piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 22611792
3-({1-[3-(1-Methyl-piperidin-4-yl)-propionyl]-piperidine-3-carbonyl}-amino)-propionic acid
CID 44316045
5-Methyl-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-hexanoic acid
CID 44316106
3-{[(S)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44316532
2-Methyl-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 22611889
ethyl (3R)-1-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 70111856
N-[1-{3-(4-piperidyl)-propionyl}-3-piperidylcarbonyl]-beta-alanine hydrochloride
CID 9907670

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride (CID 139679421) is 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)C1.
What is the InChIKey of 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is FKQZDTMJZDIHCQ-RBMDBAKPSA-N. The full InChI is InChI=1S/C20H33N3O4.ClH/c24-18(6-5-15-7-9-21-10-8-15)22-11-1-3-16(13-22)19(25)23-12-2-4-17(14-23)20(26)27;/h15-17,21H,1-14H2,(H,26,27);1H/t16-,17?;/m1./s1.
What are the key properties of 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride?
1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 415.96 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139679421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).