[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride

C18H26ClN3O3 — CID 119277068

IUPAC[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H25N3O3.ClH/c19-12-14-3-5-15(6-4-14)17(22)21-7-1-2-16(13-21)18(23)20-8-10-24-11-9-20;/h3-6,16H,1-2,7-13,19H2;1H
InChIKeyQPLOCYPDRNHBTB-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.28
Rot. Bonds3

About [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride

[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 119277068) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID119277068
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H25N3O3.ClH/c19-12-14-3-5-15(6-4-14)17(22)21-7-1-2-16(13-21)18(23)20-8-10-24-11-9-20;/h3-6,16H,1-2,7-13,19H2;1H
InChIKeyQPLOCYPDRNHBTB-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55517872
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride (CID 119277068) is [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is QPLOCYPDRNHBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-12-14-3-5-15(6-4-14)17(22)21-7-1-2-16(13-21)18(23)20-8-10-24-11-9-20;/h3-6,16H,1-2,7-13,19H2;1H.
What are the key properties of [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119277068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).