1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one

C15H17Cl2N5O2 — CID 134124203

IUPAC1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one
SMILESCC1CCCCN1C(=O)Cn1nnn(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H17Cl2N5O2/c1-10-4-2-3-7-20(10)14(23)9-21-15(24)22(19-18-21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyDORPCIACWLZYBR-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one

1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one (PubChem CID 134124203) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one
PubChem CID134124203
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one
SMILESCC1CCCCN1C(=O)Cn1nnn(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H17Cl2N5O2/c1-10-4-2-3-7-20(10)14(23)9-21-15(24)22(19-18-21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyDORPCIACWLZYBR-UHFFFAOYSA-N
XLogP2.14
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5067837
3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444505
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone
CID 60504451
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264423
N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 56583415
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 18195115
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 36904859

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one (CID 134124203) is 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one is CC1CCCCN1C(=O)Cn1nnn(-c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one?
The InChIKey is DORPCIACWLZYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c1-10-4-2-3-7-20(10)14(23)9-21-15(24)22(19-18-21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one?
1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one has a molecular weight of 370.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]tetrazol-5-one is sourced from PubChem (CID 134124203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).