piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride

C16H21ClN4O3 — CID 19962099

IUPACpiperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride
SMILESCc1noc(-c2ccccc2NC(=O)OCC2CCNCC2)n1.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-11-18-15(23-20-11)13-4-2-3-5-14(13)19-16(21)22-10-12-6-8-17-9-7-12;/h2-5,12,17H,6-10H2,1H3,(H,19,21);1H
InChIKeyWYHULBKAOQKYCM-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.01
Rot. Bonds4

About piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride

piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride (PubChem CID 19962099) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride
PubChem CID19962099
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Namepiperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride
SMILESCc1noc(-c2ccccc2NC(=O)OCC2CCNCC2)n1.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-11-18-15(23-20-11)13-4-2-3-5-14(13)19-16(21)22-10-12-6-8-17-9-7-12;/h2-5,12,17H,6-10H2,1H3,(H,19,21);1H
InChIKeyWYHULBKAOQKYCM-UHFFFAOYSA-N
XLogP3.01
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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[2-[4-(methoxymethyl)-1,3-thiazol-2-yl]phenyl]carbamic acid;piperidin-4-ylmethyl 2,2,2-trifluoroacetate
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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride (CID 19962099) is piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride is Cc1noc(-c2ccccc2NC(=O)OCC2CCNCC2)n1.Cl.
What is the InChIKey of piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride?
The InChIKey is WYHULBKAOQKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c1-11-18-15(23-20-11)13-4-2-3-5-14(13)19-16(21)22-10-12-6-8-17-9-7-12;/h2-5,12,17H,6-10H2,1H3,(H,19,21);1H.
What are the key properties of piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride?
piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 19962099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).