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

C18H26ClN3O3 — CID 119277072

IUPAC2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C18H25N3O3.ClH/c19-16(14-5-2-1-3-6-14)18(23)21-8-4-7-15(13-21)17(22)20-9-11-24-12-10-20;/h1-3,5-6,15-16H,4,7-13,19H2;1H
InChIKeyLPUCFAIQCFNDFT-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.21
Rot. Bonds3

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

2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119277072) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119277072
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C18H25N3O3.ClH/c19-16(14-5-2-1-3-6-14)18(23)21-8-4-7-15(13-21)17(22)20-9-11-24-12-10-20;/h1-3,5-6,15-16H,4,7-13,19H2;1H
InChIKeyLPUCFAIQCFNDFT-UHFFFAOYSA-N
XLogP1.21
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119277072) is 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NC(C(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is LPUCFAIQCFNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-16(14-5-2-1-3-6-14)18(23)21-8-4-7-15(13-21)17(22)20-9-11-24-12-10-20;/h1-3,5-6,15-16H,4,7-13,19H2;1H.
What are the key properties of 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119277072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).