2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide

C19H29N3O4 — CID 91772882

IUPAC2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
SMILESCOc1cccc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)c1
InChIInChI=1S/C19H29N3O4/c1-24-16-4-2-3-15(11-16)22-8-5-14(6-9-22)21-17-12-25-10-7-18(17)26-13-19(20)23/h2-4,11,14,17-18,21H,5-10,12-13H2,1H3,(H2,20,23)/t17-,18+/m1/s1
InChIKeyIWTNBSKAERCLFY-MSOLQXFVSA-N
MW363.46 g/mol
LogP0.91
Rot. Bonds7

About 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide

2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide (PubChem CID 91772882) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
PubChem CID91772882
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
SMILESCOc1cccc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)c1
InChIInChI=1S/C19H29N3O4/c1-24-16-4-2-3-15(11-16)22-8-5-14(6-9-22)21-17-12-25-10-7-18(17)26-13-19(20)23/h2-4,11,14,17-18,21H,5-10,12-13H2,1H3,(H2,20,23)/t17-,18+/m1/s1
InChIKeyIWTNBSKAERCLFY-MSOLQXFVSA-N
XLogP0.91
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
CID 91798372
1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 135093302
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
CID 45182245
(2S,5R)-5-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120799629

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The IUPAC name of 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide (CID 91772882) is 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide is COc1cccc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)c1.
What is the InChIKey of 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The InChIKey is IWTNBSKAERCLFY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-24-16-4-2-3-15(11-16)22-8-5-14(6-9-22)21-17-12-25-10-7-18(17)26-13-19(20)23/h2-4,11,14,17-18,21H,5-10,12-13H2,1H3,(H2,20,23)/t17-,18+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide has a molecular weight of 363.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide is sourced from PubChem (CID 91772882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).