N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C14H23N3O — CID 106639763

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCc1cc(CN(CC2CCCNC2)C2CC2)on1
InChIInChI=1S/C14H23N3O/c1-11-7-14(18-16-11)10-17(13-4-5-13)9-12-3-2-6-15-8-12/h7,12-13,15H,2-6,8-10H2,1H3
InChIKeyYDAWTUWUCARWII-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.95
Rot. Bonds5

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639763) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639763
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCc1cc(CN(CC2CCCNC2)C2CC2)on1
InChIInChI=1S/C14H23N3O/c1-11-7-14(18-16-11)10-17(13-4-5-13)9-12-3-2-6-15-8-12/h7,12-13,15H,2-6,8-10H2,1H3
InChIKeyYDAWTUWUCARWII-UHFFFAOYSA-N
XLogP1.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[(4,5-dibromofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625020
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639764
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106627878
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639699

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639763) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is Cc1cc(CN(CC2CCCNC2)C2CC2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is YDAWTUWUCARWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-14(18-16-11)10-17(13-4-5-13)9-12-3-2-6-15-8-12/h7,12-13,15H,2-6,8-10H2,1H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).