7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride

C17H32ClN3O3 — CID 119700490

IUPAC7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H31N3O3.ClH/c18-8-4-2-1-3-7-16(21)20-9-5-6-15(14-20)17(22)19-10-12-23-13-11-19;/h15H,1-14,18H2;1H
InChIKeyWCRKKVGOTOMZEN-UHFFFAOYSA-N
MW361.91 g/mol
LogP1.41
Rot. Bonds7

About 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride

7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride (PubChem CID 119700490) has the molecular formula C17H32ClN3O3 and a molecular weight of 361.91 g/mol. Its IUPAC name is 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
PubChem CID119700490
Molecular FormulaC17H32ClN3O3
Molecular Weight361.91 g/mol
Exact Mass361.21
IUPAC Name7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H31N3O3.ClH/c18-8-4-2-1-3-7-16(21)20-9-5-6-15(14-20)17(22)19-10-12-23-13-11-19;/h15H,1-14,18H2;1H
InChIKeyWCRKKVGOTOMZEN-UHFFFAOYSA-N
XLogP1.41
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 94528437
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119700516
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
CID 81203461
6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
CID 81204003
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride (CID 119700490) is 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride?
The InChIKey is WCRKKVGOTOMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3.ClH/c18-8-4-2-1-3-7-16(21)20-9-5-6-15(14-20)17(22)19-10-12-23-13-11-19;/h15H,1-14,18H2;1H.
What are the key properties of 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride?
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119700490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).