(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

C16H29N3O2 — CID 119867461

IUPAC(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(CC2CCN(C(=O)C3(N)CC3)CC2)CC(C)O1
InChIInChI=1S/C16H29N3O2/c1-12-9-18(10-13(2)21-12)11-14-3-7-19(8-4-14)15(20)16(17)5-6-16/h12-14H,3-11,17H2,1-2H3
InChIKeyWZKHVJZANMWRHN-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds3

About (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119867461) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
PubChem CID119867461
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(CC2CCN(C(=O)C3(N)CC3)CC2)CC(C)O1
InChIInChI=1S/C16H29N3O2/c1-12-9-18(10-13(2)21-12)11-14-3-7-19(8-4-14)15(20)16(17)5-6-16/h12-14H,3-11,17H2,1-2H3
InChIKeyWZKHVJZANMWRHN-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503447
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
(1-aminocyclopentyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119261690
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
CID 52870602
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone (CID 119867461) is (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone is CC1CN(CC2CCN(C(=O)C3(N)CC3)CC2)CC(C)O1.
What is the InChIKey of (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WZKHVJZANMWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12-9-18(10-13(2)21-12)11-14-3-7-19(8-4-14)15(20)16(17)5-6-16/h12-14H,3-11,17H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119867461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).