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

C20H29N5O2 — CID 118263751

IUPAC[4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCC3)C(CO)C2)c(-c2nc(C)no2)c1
InChIInChI=1S/C20H29N5O2/c1-13-9-17(20-22-14(2)24-27-20)19(21-10-13)25-8-7-18(15(11-25)12-26)23-16-5-3-4-6-16/h9-10,15-16,18,23,26H,3-8,11-12H2,1-2H3
InChIKeyFSXSGWOJRPOEAK-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.47
Rot. Bonds5

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

[4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 118263751) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID118263751
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCC3)C(CO)C2)c(-c2nc(C)no2)c1
InChIInChI=1S/C20H29N5O2/c1-13-9-17(20-22-14(2)24-27-20)19(21-10-13)25-8-7-18(15(11-25)12-26)23-16-5-3-4-6-16/h9-10,15-16,18,23,26H,3-8,11-12H2,1-2H3
InChIKeyFSXSGWOJRPOEAK-UHFFFAOYSA-N
XLogP2.47
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol (CID 118263751) is [4-(cyclopentylamino)-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-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol is Cc1cnc(N2CCC(NC3CCCC3)C(CO)C2)c(-c2nc(C)no2)c1.
What is the InChIKey of [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is FSXSGWOJRPOEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-9-17(20-22-14(2)24-27-20)19(21-10-13)25-8-7-18(15(11-25)12-26)23-16-5-3-4-6-16/h9-10,15-16,18,23,26H,3-8,11-12H2,1-2H3.
What are the key properties of [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol?
[4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 371.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).