1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea

C15H21N7O2 — CID 74247300

IUPAC1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1cc(NC(=O)NCC2CCNCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C15H21N7O2/c1-24-14-7-12(6-13(8-14)22-10-18-20-21-22)19-15(23)17-9-11-2-4-16-5-3-11/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,19,23)
InChIKeyPIWJSXUTLMZUTB-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.79
Rot. Bonds5

About 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea

1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea (PubChem CID 74247300) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
PubChem CID74247300
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1cc(NC(=O)NCC2CCNCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C15H21N7O2/c1-24-14-7-12(6-13(8-14)22-10-18-20-21-22)19-15(23)17-9-11-2-4-16-5-3-11/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,19,23)
InChIKeyPIWJSXUTLMZUTB-UHFFFAOYSA-N
XLogP0.79
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 154915325
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 72875622
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 125172198
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97437208
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682
N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea (CID 74247300) is 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea is COc1cc(NC(=O)NCC2CCNCC2)cc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea?
The InChIKey is PIWJSXUTLMZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-24-14-7-12(6-13(8-14)22-10-18-20-21-22)19-15(23)17-9-11-2-4-16-5-3-11/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,19,23).
What are the key properties of 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea?
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea has a molecular weight of 331.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 74247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).