1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea

C20H20ClN7O2 — CID 10071086

IUPAC1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H20ClN7O2/c21-15-6-2-3-7-17(15)23-20(30)22-16-9-8-13(12-14(16)18-24-26-27-25-18)19(29)28-10-4-1-5-11-28/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,30)(H,24,25,26,27)
InChIKeyKKYWKIVVHBJXHE-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.79
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea

1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea (PubChem CID 10071086) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID10071086
Molecular FormulaC20H20ClN7O2
Molecular Weight425.88 g/mol
Exact Mass425.14
IUPAC Name1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H20ClN7O2/c21-15-6-2-3-7-17(15)23-20(30)22-16-9-8-13(12-14(16)18-24-26-27-25-18)19(29)28-10-4-1-5-11-28/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,30)(H,24,25,26,27)
InChIKeyKKYWKIVVHBJXHE-UHFFFAOYSA-N
XLogP3.79
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(piperidine-1-carbonyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]urea
CID 10460651
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 72852512
1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 155954252
1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide
CID 67552397

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea (CID 10071086) is 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea is O=C(Nc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1-c1nn[nH]n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea?
The InChIKey is KKYWKIVVHBJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c21-15-6-2-3-7-17(15)23-20(30)22-16-9-8-13(12-14(16)18-24-26-27-25-18)19(29)28-10-4-1-5-11-28/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,30)(H,24,25,26,27).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea?
1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea has a molecular weight of 425.88 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 10071086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).