[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol

C22H33N5O2 — CID 118263750

IUPAC[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCCC3)C(CO)C2)c(-c2nc(C)no2)c1
InChIInChI=1S/C22H33N5O2/c1-15-11-19(22-24-16(2)26-29-22)21(23-12-15)27-10-9-20(17(13-27)14-28)25-18-7-5-3-4-6-8-18/h11-12,17-18,20,25,28H,3-10,13-14H2,1-2H3
InChIKeyQKNNYKKMJGRLCI-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.25
Rot. Bonds5

About [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol

[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 118263750) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID118263750
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCCC3)C(CO)C2)c(-c2nc(C)no2)c1
InChIInChI=1S/C22H33N5O2/c1-15-11-19(22-24-16(2)26-29-22)21(23-12-15)27-10-9-20(17(13-27)14-28)25-18-7-5-3-4-6-8-18/h11-12,17-18,20,25,28H,3-10,13-14H2,1-2H3
InChIKeyQKNNYKKMJGRLCI-UHFFFAOYSA-N
XLogP3.25
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-methyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 118263755
[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 118263772
[1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol
CID 118263788
(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol
CID 118264136
[4-(cyclohexylamino)-1-[6-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 118263872
N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
CID 118263885
N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 118263799
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864
N-cyclohexyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;2-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;2-[[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158330098
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263877
3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 129253353
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 71563740

Frequently Asked Questions

What is the IUPAC name of [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol (CID 118263750) is [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol is Cc1cnc(N2CCC(NC3CCCCCC3)C(CO)C2)c(-c2nc(C)no2)c1.
What is the InChIKey of [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is QKNNYKKMJGRLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-15-11-19(22-24-16(2)26-29-22)21(23-12-15)27-10-9-20(17(13-27)14-28)25-18-7-5-3-4-6-8-18/h11-12,17-18,20,25,28H,3-10,13-14H2,1-2H3.
What are the key properties of [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 399.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).