2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide

C17H21ClN6O3 — CID 97284805

IUPAC2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2nn[nH]n2)CC1
InChIInChI=1S/C17H21ClN6O3/c1-10(16-20-22-23-21-16)19-17(26)14-9-12(18)3-4-15(14)27-13-5-7-24(8-6-13)11(2)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,26)(H,20,21,22,23)/t10-/m0/s1
InChIKeyOOUIWVHFWDECEO-JTQLQIEISA-N
MW392.85 g/mol
LogP1.73
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide

2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 97284805) has the molecular formula C17H21ClN6O3 and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID97284805
Molecular FormulaC17H21ClN6O3
Molecular Weight392.85 g/mol
Exact Mass392.14
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2nn[nH]n2)CC1
InChIInChI=1S/C17H21ClN6O3/c1-10(16-20-22-23-21-16)19-17(26)14-9-12(18)3-4-15(14)27-13-5-7-24(8-6-13)11(2)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,26)(H,20,21,22,23)/t10-/m0/s1
InChIKeyOOUIWVHFWDECEO-JTQLQIEISA-N
XLogP1.73
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 97284805) is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H](C)c2nn[nH]n2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is OOUIWVHFWDECEO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H21ClN6O3/c1-10(16-20-22-23-21-16)19-17(26)14-9-12(18)3-4-15(14)27-13-5-7-24(8-6-13)11(2)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,26)(H,20,21,22,23)/t10-/m0/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 392.85 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 97284805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).