2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone

C19H35N3O2 — CID 95901062

IUPAC2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(C)C2CCN(C[C@H]3CCOC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-16-3-10-22(11-4-16)19(23)14-20(2)18-5-8-21(9-6-18)13-17-7-12-24-15-17/h16-18H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyPMTQHYFNKKMGAV-QGZVFWFLSA-N
MW337.51 g/mol
LogP1.68
Rot. Bonds5

About 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 95901062) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID95901062
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(C)C2CCN(C[C@H]3CCOC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-16-3-10-22(11-4-16)19(23)14-20(2)18-5-8-21(9-6-18)13-17-7-12-24-15-17/h16-18H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyPMTQHYFNKKMGAV-QGZVFWFLSA-N
XLogP1.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
1-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 131937464
3-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119897543
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
1-(4-benzylpiperidin-1-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 45242177
cis-(1R,3R)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 100633871
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 94025427
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
CID 102557641
1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pentylsulfonylethanone
CID 102559116
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897523

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 95901062) is 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(C)C2CCN(C[C@H]3CCOC3)CC2)CC1.
What is the InChIKey of 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is PMTQHYFNKKMGAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-16-3-10-22(11-4-16)19(23)14-20(2)18-5-8-21(9-6-18)13-17-7-12-24-15-17/h16-18H,3-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 337.51 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 95901062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).