[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

C18H33N3O2 — CID 119899173

IUPAC[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCC1CN(CCC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1
InChIInChI=1S/C18H33N3O2/c1-14-12-20(13-15(2)23-14)9-5-16-6-10-21(11-7-16)18(22)17-4-3-8-19-17/h14-17,19H,3-13H2,1-2H3
InChIKeyMTBKEEASXKGRMN-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.48
Rot. Bonds4

About [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119899173) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119899173
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCC1CN(CCC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1
InChIInChI=1S/C18H33N3O2/c1-14-12-20(13-15(2)23-14)9-5-16-6-10-21(11-7-16)18(22)17-4-3-8-19-17/h14-17,19H,3-13H2,1-2H3
InChIKeyMTBKEEASXKGRMN-UHFFFAOYSA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119867516
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120638515
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638514
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 119899173) is [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is CC1CN(CCC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1.
What is the InChIKey of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is MTBKEEASXKGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14-12-20(13-15(2)23-14)9-5-16-6-10-21(11-7-16)18(22)17-4-3-8-19-17/h14-17,19H,3-13H2,1-2H3.
What are the key properties of [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 323.48 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119899173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).