N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

C19H28N6O — CID 1445087

IUPACN-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-14-7-5-6-8-16(14)18(26)20-15-9-11-24(12-10-15)13-17-21-22-23-25(17)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,26)
InChIKeyDSZDOCJZKODPPU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.13
Rot. Bonds4

About N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 1445087) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID1445087
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-14-7-5-6-8-16(14)18(26)20-15-9-11-24(12-10-15)13-17-21-22-23-25(17)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,26)
InChIKeyDSZDOCJZKODPPU-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (CID 1445087) is N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C(C)(C)C)CC1.
What is the InChIKey of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is DSZDOCJZKODPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-7-5-6-8-16(14)18(26)20-15-9-11-24(12-10-15)13-17-21-22-23-25(17)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,26).
What are the key properties of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 1445087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).