N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

C15H26N4O — CID 79713790

IUPACN-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(CC2CCNCC2)C2CC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-14(18-20-15)10-19(13-3-4-13)9-12-5-7-16-8-6-12/h11-13,16H,3-10H2,1-2H3
InChIKeySRHKJMWRMWEZMU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.16
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (PubChem CID 79713790) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
PubChem CID79713790
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(CC2CCNCC2)C2CC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-14(18-20-15)10-19(13-3-4-13)9-12-5-7-16-8-6-12/h11-13,16H,3-10H2,1-2H3
InChIKeySRHKJMWRMWEZMU-UHFFFAOYSA-N
XLogP2.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (CID 79713790) is N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is CC(C)c1nc(CN(CC2CCNCC2)C2CC2)no1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The InChIKey is SRHKJMWRMWEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)15-17-14(18-20-15)10-19(13-3-4-13)9-12-5-7-16-8-6-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79713790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).