N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

C22H25N7O2 — CID 51052796

IUPACN-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C22H25N7O2/c1-28-26-20(25-27-28)17-7-9-18(10-8-17)23-21(30)22(31)24-19-11-13-29(14-12-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,30)(H,24,31)
InChIKeyZRKGHNYMMKGHPS-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.60
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 51052796) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID51052796
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C22H25N7O2/c1-28-26-20(25-27-28)17-7-9-18(10-8-17)23-21(30)22(31)24-19-11-13-29(14-12-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,30)(H,24,31)
InChIKeyZRKGHNYMMKGHPS-UHFFFAOYSA-N
XLogP1.60
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053226
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-(3-anilinopropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 52899659
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51049331
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 51052796) is N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is Cn1nnc(-c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is ZRKGHNYMMKGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-28-26-20(25-27-28)17-7-9-18(10-8-17)23-21(30)22(31)24-19-11-13-29(14-12-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,30)(H,24,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 419.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 51052796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).