N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide

C21H24N6O — CID 126431115

IUPACN-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(NCC[C@H]1CCCCN1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H24N6O/c28-21(23-14-12-19-3-1-2-13-22-19)18-10-6-16(7-11-18)15-4-8-17(9-5-15)20-24-26-27-25-20/h4-11,19,22H,1-3,12-14H2,(H,23,28)(H,24,25,26,27)/t19-/m1/s1
InChIKeyOROLGWJYJVHPEK-LJQANCHMSA-N
MW376.46 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide

N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 126431115) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID126431115
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(NCC[C@H]1CCCCN1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H24N6O/c28-21(23-14-12-19-3-1-2-13-22-19)18-10-6-16(7-11-18)15-4-8-17(9-5-15)20-24-26-27-25-20/h4-11,19,22H,1-3,12-14H2,(H,23,28)(H,24,25,26,27)/t19-/m1/s1
InChIKeyOROLGWJYJVHPEK-LJQANCHMSA-N
XLogP2.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114793811
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 104971690
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
CID 118781403
4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 118770252

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide (CID 126431115) is N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(NCC[C@H]1CCCCN1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is OROLGWJYJVHPEK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(23-14-12-19-3-1-2-13-22-19)18-10-6-16(7-11-18)15-4-8-17(9-5-15)20-24-26-27-25-20/h4-11,19,22H,1-3,12-14H2,(H,23,28)(H,24,25,26,27)/t19-/m1/s1.
What are the key properties of N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 126431115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).