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

C22H31N3O — CID 118264075

IUPACN-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2ccc(C)o2)c1
InChIInChI=1S/C22H31N3O/c1-16-14-20(21-9-8-17(2)26-21)22(23-15-16)25-12-10-19(11-13-25)24-18-6-4-3-5-7-18/h8-9,14-15,18-19,24H,3-7,10-13H2,1-2H3
InChIKeyKRIOODLHFUWQCF-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.85
Rot. Bonds4

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

N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 118264075) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID118264075
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine
SMILESCc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2ccc(C)o2)c1
InChIInChI=1S/C22H31N3O/c1-16-14-20(21-9-8-17(2)26-21)22(23-15-16)25-12-10-19(11-13-25)24-18-6-4-3-5-7-18/h8-9,14-15,18-19,24H,3-7,10-13H2,1-2H3
InChIKeyKRIOODLHFUWQCF-UHFFFAOYSA-N
XLogP4.85
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine (CID 118264075) is N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine is Cc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2ccc(C)o2)c1.
What is the InChIKey of N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is KRIOODLHFUWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16-14-20(21-9-8-17(2)26-21)22(23-15-16)25-12-10-19(11-13-25)24-18-6-4-3-5-7-18/h8-9,14-15,18-19,24H,3-7,10-13H2,1-2H3.
What are the key properties of N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine?
N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-methyl-3-(5-methylfuran-2-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).