[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid

C17H25N3O3 — CID 155094277

IUPAC[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@H](N2CCOCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c21-17(22)18-15-10-16(20-6-8-23-9-7-20)13-19(12-15)11-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyGGYKJCJUQCKODG-HOTGVXAUSA-N
MW319.40 g/mol
LogP1.23
Rot. Bonds4

About [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid

[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid (PubChem CID 155094277) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
PubChem CID155094277
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@H](N2CCOCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c21-17(22)18-15-10-16(20-6-8-23-9-7-20)13-19(12-15)11-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyGGYKJCJUQCKODG-HOTGVXAUSA-N
XLogP1.23
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
[(1S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 135309610
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
CID 63170231
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
CID 118541836
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
(1R,5R)-7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98126066
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid (CID 155094277) is [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid is O=C(O)N[C@H]1C[C@H](N2CCOCC2)CN(Cc2ccccc2)C1.
What is the InChIKey of [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid?
The InChIKey is GGYKJCJUQCKODG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(22)18-15-10-16(20-6-8-23-9-7-20)13-19(12-15)11-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid?
[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid has a molecular weight of 319.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 155094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).