N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

C21H30N6O — CID 42189803

IUPACN-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H30N6O/c28-21(18-11-9-17(10-12-18)14-27-16-22-24-25-27)23-19-6-5-13-26(15-19)20-7-3-1-2-4-8-20/h9-12,16,19-20H,1-8,13-15H2,(H,23,28)/t19-/m1/s1
InChIKeyCXCWYZXUFVETCS-LJQANCHMSA-N
MW382.51 g/mol
LogP2.64
Rot. Bonds5

About N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 42189803) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID42189803
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C21H30N6O/c28-21(18-11-9-17(10-12-18)14-27-16-22-24-25-27)23-19-6-5-13-26(15-19)20-7-3-1-2-4-8-20/h9-12,16,19-20H,1-8,13-15H2,(H,23,28)/t19-/m1/s1
InChIKeyCXCWYZXUFVETCS-LJQANCHMSA-N
XLogP2.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 28733201
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 91637708
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-morpholin-4-ylbenzamide
CID 42098695
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)benzamide
CID 129490785
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626128
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 42189803) is N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is O=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is CXCWYZXUFVETCS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N6O/c28-21(18-11-9-17(10-12-18)14-27-16-22-24-25-27)23-19-6-5-13-26(15-19)20-7-3-1-2-4-8-20/h9-12,16,19-20H,1-8,13-15H2,(H,23,28)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42189803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).