N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

C18H25N7O2 — CID 97437208

IUPACN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)cc(-n2cnnn2)c1
InChIInChI=1S/C18H25N7O2/c1-13-5-3-4-6-24(13)16-10-23(11-16)18(26)20-14-7-15(9-17(8-14)27-2)25-12-19-21-22-25/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,26)/t13-/m1/s1
InChIKeyNXNYQLBTEYBAMG-CYBMUJFWSA-N
MW371.45 g/mol
LogP1.76
Rot. Bonds4

About N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (PubChem CID 97437208) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
PubChem CID97437208
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)cc(-n2cnnn2)c1
InChIInChI=1S/C18H25N7O2/c1-13-5-3-4-6-24(13)16-10-23(11-16)18(26)20-14-7-15(9-17(8-14)27-2)25-12-19-21-22-25/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,26)/t13-/m1/s1
InChIKeyNXNYQLBTEYBAMG-CYBMUJFWSA-N
XLogP1.76
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146038738
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
CID 97434495
N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3215993
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074299
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (CID 97437208) is N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is NXNYQLBTEYBAMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-13-5-3-4-6-24(13)16-10-23(11-16)18(26)20-14-7-15(9-17(8-14)27-2)25-12-19-21-22-25/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,26)/t13-/m1/s1.
What are the key properties of N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 97437208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).