N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide

C21H30N6O2 — CID 650091

IUPACN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C21H30N6O2/c1-2-29-19-10-6-5-9-18(19)21(28)22-16-11-13-26(14-12-16)15-20-23-24-25-27(20)17-7-3-4-8-17/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,28)
InChIKeyBVNKGWYCRAJWJC-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.58
Rot. Bonds7

About N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide

N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide (PubChem CID 650091) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide
PubChem CID650091
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C21H30N6O2/c1-2-29-19-10-6-5-9-18(19)21(28)22-16-11-13-26(14-12-16)15-20-23-24-25-27(20)17-7-3-4-8-17/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,28)
InChIKeyBVNKGWYCRAJWJC-UHFFFAOYSA-N
XLogP2.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide?
The IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide (CID 650091) is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1.
What is the InChIKey of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide?
The InChIKey is BVNKGWYCRAJWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-2-29-19-10-6-5-9-18(19)21(28)22-16-11-13-26(14-12-16)15-20-23-24-25-27(20)17-7-3-4-8-17/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,28).
What are the key properties of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide?
N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide has a molecular weight of 398.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-ethoxybenzamide is sourced from PubChem (CID 650091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).