(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one

C13H25N3O2 — CID 115056620

IUPAC(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(CN2C[C@H](CN)OC2=O)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-5-3-11(4-6-15)8-16-9-12(7-14)18-13(16)17/h10-12H,3-9,14H2,1-2H3/t12-/m0/s1
InChIKeyCMCGXZZFISFHLL-LBPRGKRZSA-N
MW255.36 g/mol
LogP0.89
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115056620) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID115056620
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(CN2C[C@H](CN)OC2=O)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-5-3-11(4-6-15)8-16-9-12(7-14)18-13(16)17/h10-12H,3-9,14H2,1-2H3/t12-/m0/s1
InChIKeyCMCGXZZFISFHLL-LBPRGKRZSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056615
5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
CID 18404219
4-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoic acid
CID 19071059
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 112594210
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115056721
3-(cyclopropylmethyl)-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 177091456
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one (CID 115056620) is (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one is CC(C)N1CCC(CN2C[C@H](CN)OC2=O)CC1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CMCGXZZFISFHLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)15-5-3-11(4-6-15)8-16-9-12(7-14)18-13(16)17/h10-12H,3-9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).