N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide

C19H28N6O — CID 654768

IUPACN-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-15(26)20-19(16-8-6-5-7-9-16)10-12-24(13-11-19)14-17-21-22-23-25(17)18(2,3)4/h5-9H,10-14H2,1-4H3,(H,20,26)
InChIKeyLCBBECJDWAWHLF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.06
Rot. Bonds4

About N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 654768) 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]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID654768
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C19H28N6O/c1-15(26)20-19(16-8-6-5-7-9-16)10-12-24(13-11-19)14-17-21-22-23-25(17)18(2,3)4/h5-9H,10-14H2,1-4H3,(H,20,26)
InChIKeyLCBBECJDWAWHLF-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide (CID 654768) is N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1.
What is the InChIKey of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is LCBBECJDWAWHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15(26)20-19(16-8-6-5-7-9-16)10-12-24(13-11-19)14-17-21-22-23-25(17)18(2,3)4/h5-9H,10-14H2,1-4H3,(H,20,26).
What are the key properties of N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.06, 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]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 654768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).