3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride

C16H28ClN3O5 — CID 22611867

IUPAC3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)C1CN(C(=O)CCC2CCNCC2)CCO1
InChIInChI=1S/C16H27N3O5.ClH/c20-14(2-1-12-3-6-17-7-4-12)19-9-10-24-13(11-19)16(23)18-8-5-15(21)22;/h12-13,17H,1-11H2,(H,18,23)(H,21,22);1H
InChIKeyJJACJRFCBFEMHP-UHFFFAOYSA-N
MW377.87 g/mol
LogP0.01
Rot. Bonds7

About 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride

3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride (PubChem CID 22611867) has the molecular formula C16H28ClN3O5 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride
PubChem CID22611867
Molecular FormulaC16H28ClN3O5
Molecular Weight377.87 g/mol
Exact Mass377.17
IUPAC Name3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)C1CN(C(=O)CCC2CCNCC2)CCO1
InChIInChI=1S/C16H27N3O5.ClH/c20-14(2-1-12-3-6-17-7-4-12)19-9-10-24-13(11-19)16(23)18-8-5-15(21)22;/h12-13,17H,1-11H2,(H,18,23)(H,21,22);1H
InChIKeyJJACJRFCBFEMHP-UHFFFAOYSA-N
XLogP0.01
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride with MolForge

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Related Compounds

(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
CID 22611771
(3S)-3-(cyclohexanecarbonylamino)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 23533823
4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
CID 79674134
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
(2S)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid
CID 18734728
3-methyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 70094312
N-(3-morpholin-4-yl-3-oxopropyl)-3-pyrrolidin-3-ylpropanamide
CID 115774812
1-cyclohexyloxycarbonyloxyethyl 3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate;hydrochloride
CID 70110252

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride (CID 22611867) is 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride is Cl.O=C(O)CCNC(=O)C1CN(C(=O)CCC2CCNCC2)CCO1.
What is the InChIKey of 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride?
The InChIKey is JJACJRFCBFEMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5.ClH/c20-14(2-1-12-3-6-17-7-4-12)19-9-10-24-13(11-19)16(23)18-8-5-15(21)22;/h12-13,17H,1-11H2,(H,18,23)(H,21,22);1H.
What are the key properties of 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride?
3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 22611867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).