5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole

C19H32N4O — CID 51086696

IUPAC5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C19H32N4O/c1-15(19-20-18(21-24-19)17-6-7-17)23-12-8-16(9-13-23)14-22-10-4-2-3-5-11-22/h15-17H,2-14H2,1H3
InChIKeyLCBNMHPKOODTHE-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.60
Rot. Bonds5

About 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole

5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 51086696) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID51086696
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C19H32N4O/c1-15(19-20-18(21-24-19)17-6-7-17)23-12-8-16(9-13-23)14-22-10-4-2-3-5-11-22/h15-17H,2-14H2,1H3
InChIKeyLCBNMHPKOODTHE-UHFFFAOYSA-N
XLogP3.60
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
3-cyclopropyl-5-[(1R)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309192
3-cyclopropyl-5-[(1S)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309191
[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 60500680
3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95284690

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole (CID 51086696) is 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole is CC(c1nc(C2CC2)no1)N1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is LCBNMHPKOODTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15(19-20-18(21-24-19)17-6-7-17)23-12-8-16(9-13-23)14-22-10-4-2-3-5-11-22/h15-17H,2-14H2,1H3.
What are the key properties of 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 332.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 51086696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).