N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

C20H29N5O — CID 129252281

IUPACN-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2nc(C)no2)c1
InChIInChI=1S/C20H29N5O/c1-14-12-18(20-22-15(2)24-26-20)19(21-13-14)25-10-8-17(9-11-25)23-16-6-4-3-5-7-16/h12-13,16-17,23H,3-11H2,1-2H3
InChIKeyOSZSMZNHXUELQY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.64
Rot. Bonds4

About N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 129252281) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID129252281
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2nc(C)no2)c1
InChIInChI=1S/C20H29N5O/c1-14-12-18(20-22-15(2)24-26-20)19(21-13-14)25-10-8-17(9-11-25)23-16-6-4-3-5-7-16/h12-13,16-17,23H,3-11H2,1-2H3
InChIKeyOSZSMZNHXUELQY-UHFFFAOYSA-N
XLogP3.64
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (CID 129252281) is N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is Cc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2nc(C)no2)c1.
What is the InChIKey of N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is OSZSMZNHXUELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-12-18(20-22-15(2)24-26-20)19(21-13-14)25-10-8-17(9-11-25)23-16-6-4-3-5-7-16/h12-13,16-17,23H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 129252281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).