3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one

C14H23N3O3 — CID 106640057

IUPAC3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN(CC1CCCNC1)C1CC1)N1CCOC1=O
InChIInChI=1S/C14H23N3O3/c18-13(17-6-7-20-14(17)19)10-16(12-3-4-12)9-11-2-1-5-15-8-11/h11-12,15H,1-10H2
InChIKeyDKZQIKNQMGDYKD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.43
Rot. Bonds5

About 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one

3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one (PubChem CID 106640057) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one
PubChem CID106640057
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN(CC1CCCNC1)C1CC1)N1CCOC1=O
InChIInChI=1S/C14H23N3O3/c18-13(17-6-7-20-14(17)19)10-16(12-3-4-12)9-11-2-1-5-15-8-11/h11-12,15H,1-10H2
InChIKeyDKZQIKNQMGDYKD-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 106639754
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-cyclohexyl-2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetamide
CID 106639591
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 106639554
1-[2-[piperidin-3-ylmethyl(propyl)amino]acetyl]imidazolidin-2-one
CID 106640737
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
N-cyclopropyl-N-(piperidin-3-ylmethyl)morpholine-4-sulfonamide
CID 106631174

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one (CID 106640057) is 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one is O=C(CN(CC1CCCNC1)C1CC1)N1CCOC1=O.
What is the InChIKey of 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is DKZQIKNQMGDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-13(17-6-7-20-14(17)19)10-16(12-3-4-12)9-11-2-1-5-15-8-11/h11-12,15H,1-10H2.
What are the key properties of 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one?
3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 106640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).