N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide

C21H24N6O — CID 119312708

IUPACN-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)C1CCCCN1
InChIInChI=1S/C21H24N6O/c28-21(19-8-4-5-14-22-19)23-18-11-9-16(10-12-18)13-15-27-25-20(24-26-27)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-15H2,(H,23,28)
InChIKeyKOPGJDLUUIVAMX-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.66
Rot. Bonds6

About N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide

N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide (PubChem CID 119312708) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
PubChem CID119312708
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)C1CCCCN1
InChIInChI=1S/C21H24N6O/c28-21(19-8-4-5-14-22-19)23-18-11-9-16(10-12-18)13-15-27-25-20(24-26-27)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-15H2,(H,23,28)
InChIKeyKOPGJDLUUIVAMX-UHFFFAOYSA-N
XLogP2.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclopentane-1-carboxamide
CID 119312718
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
CID 119333340
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]piperidine-2-carboxamide
CID 119303603
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119308499
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide (CID 119312708) is N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)C1CCCCN1.
What is the InChIKey of N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide?
The InChIKey is KOPGJDLUUIVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19-8-4-5-14-22-19)23-18-11-9-16(10-12-18)13-15-27-25-20(24-26-27)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-15H2,(H,23,28).
What are the key properties of N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide?
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119312708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).