2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride

C16H28ClN3O3 — CID 119700516

IUPAC2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H27N3O3.ClH/c20-15(11-17-10-13-3-4-13)19-5-1-2-14(12-19)16(21)18-6-8-22-9-7-18;/h13-14,17H,1-12H2;1H
InChIKeyVJKFDRVLLJHQSS-UHFFFAOYSA-N
MW345.87 g/mol
LogP0.51
Rot. Bonds5

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

2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119700516) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119700516
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Name2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H27N3O3.ClH/c20-15(11-17-10-13-3-4-13)19-5-1-2-14(12-19)16(21)18-6-8-22-9-7-18;/h13-14,17H,1-12H2;1H
InChIKeyVJKFDRVLLJHQSS-UHFFFAOYSA-N
XLogP0.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 119734607
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride (CID 119700516) is 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(CNCC1CC1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is VJKFDRVLLJHQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c20-15(11-17-10-13-3-4-13)19-5-1-2-14(12-19)16(21)18-6-8-22-9-7-18;/h13-14,17H,1-12H2;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119700516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).