(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride

C13H24ClN3O3 — CID 119277058

IUPAC(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC(C(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-10(14)12(17)16-4-2-3-11(9-16)13(18)15-5-7-19-8-6-15;/h10-11H,2-9,14H2,1H3;1H/t10-,11?;/m0./s1
InChIKeyNRCOPIILPGLUMP-JMFXEUCVSA-N
MW305.81 g/mol
LogP-0.15
Rot. Bonds2

About (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119277058) has the molecular formula C13H24ClN3O3 and a molecular weight of 305.81 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119277058
Molecular FormulaC13H24ClN3O3
Molecular Weight305.81 g/mol
Exact Mass305.15
IUPAC Name(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC(C(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-10(14)12(17)16-4-2-3-11(9-16)13(18)15-5-7-19-8-6-15;/h10-11H,2-9,14H2,1H3;1H/t10-,11?;/m0./s1
InChIKeyNRCOPIILPGLUMP-JMFXEUCVSA-N
XLogP-0.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 31006518
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000136
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119277058) is (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCC(C(=O)N2CCOCC2)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is NRCOPIILPGLUMP-JMFXEUCVSA-N. The full InChI is InChI=1S/C13H23N3O3.ClH/c1-10(14)12(17)16-4-2-3-11(9-16)13(18)15-5-7-19-8-6-15;/h10-11H,2-9,14H2,1H3;1H/t10-,11?;/m0./s1.
What are the key properties of (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119277058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).