1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one

C20H37N3O2 — CID 119624386

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC1CN(C(C(=O)N2CCC(NCC3CC3)CC2)C(C)C)CC(C)O1
InChIInChI=1S/C20H37N3O2/c1-14(2)19(23-12-15(3)25-16(4)13-23)20(24)22-9-7-18(8-10-22)21-11-17-5-6-17/h14-19,21H,5-13H2,1-4H3
InChIKeyZOCGPBBPIJQJRT-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.11
Rot. Bonds6

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one (PubChem CID 119624386) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
PubChem CID119624386
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC1CN(C(C(=O)N2CCC(NCC3CC3)CC2)C(C)C)CC(C)O1
InChIInChI=1S/C20H37N3O2/c1-14(2)19(23-12-15(3)25-16(4)13-23)20(24)22-9-7-18(8-10-22)21-11-17-5-6-17/h14-19,21H,5-13H2,1-4H3
InChIKeyZOCGPBBPIJQJRT-UHFFFAOYSA-N
XLogP2.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one
CID 110908158
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-methylbutan-1-one
CID 98758185
2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 82836447
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-[(2R)-2-methylmorpholin-4-yl]butan-1-one
CID 124826397
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one (CID 119624386) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one is CC1CN(C(C(=O)N2CCC(NCC3CC3)CC2)C(C)C)CC(C)O1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The InChIKey is ZOCGPBBPIJQJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-14(2)19(23-12-15(3)25-16(4)13-23)20(24)22-9-7-18(8-10-22)21-11-17-5-6-17/h14-19,21H,5-13H2,1-4H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one has a molecular weight of 351.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one is sourced from PubChem (CID 119624386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).