(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C19H35N3O2 — CID 146256273

IUPAC(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)N1CCC(C(=O)N2CCC(CN3CCOCC3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-19(2,3)22-8-5-17(6-9-22)18(23)21-7-4-16(15-21)14-20-10-12-24-13-11-20/h16-17H,4-15H2,1-3H3
InChIKeyJHOSYUIJMLAJGY-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.68
Rot. Bonds3

About (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 146256273) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID146256273
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)N1CCC(C(=O)N2CCC(CN3CCOCC3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-19(2,3)22-8-5-17(6-9-22)18(23)21-7-4-16(15-21)14-20-10-12-24-13-11-20/h16-17H,4-15H2,1-3H3
InChIKeyJHOSYUIJMLAJGY-UHFFFAOYSA-N
XLogP1.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

Cambridge id 6578647
CID 883920
1-[4-[4-(Morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
CID 42693441
3,3-Dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693454
1-[4-(Morpholine-4-carbonyl)piperidin-1-YL]butan-1-one
CID 45596639
(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164636298
(4S)-1-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164639742
3-Methyl-1-(4-morpholin-4-ylpiperidyl)butan-1-one
CID 807162
1-[4-(3,3-Dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 112507388
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 126809155
N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
CID 4102327
1-[4-(2,6-Dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943799
2-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propanoyl}-8-methyl-2,8-diazaspiro[4.5]decane
CID 50956532

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 146256273) is (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is CC(C)(C)N1CCC(C(=O)N2CCC(CN3CCOCC3)C2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JHOSYUIJMLAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-19(2,3)22-8-5-17(6-9-22)18(23)21-7-4-16(15-21)14-20-10-12-24-13-11-20/h16-17H,4-15H2,1-3H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 337.51 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146256273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).