N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide

C20H28N6O — CID 55356927

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C20H28N6O/c27-19(17-9-3-4-10-18(17)26-16-22-23-24-26)21-15-20(11-5-1-6-12-20)25-13-7-2-8-14-25/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,27)
InChIKeyBFRCKUYEVXESBN-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.58
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide

N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 55356927) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID55356927
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C20H28N6O/c27-19(17-9-3-4-10-18(17)26-16-22-23-24-26)21-15-20(11-5-1-6-12-20)25-13-7-2-8-14-25/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,27)
InChIKeyBFRCKUYEVXESBN-UHFFFAOYSA-N
XLogP2.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544922
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 134005162
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
1-oxido-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridin-1-ium-2-carboxamide
CID 51116095

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 55356927) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is BFRCKUYEVXESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-19(17-9-3-4-10-18(17)26-16-22-23-24-26)21-15-20(11-5-1-6-12-20)25-13-7-2-8-14-25/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,27).
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 368.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55356927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).