N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide

C19H34N6O2 — CID 25382967

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H34N6O2/c1-16-8-11-24(12-9-16)15-18-20-21-22-25(18)10-5-7-19(26)23(2)14-17-6-3-4-13-27-17/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyRDYROTHOPMWPJH-KRWDZBQOSA-N
MW378.52 g/mol
LogP1.71
Rot. Bonds8

About N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide (PubChem CID 25382967) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
PubChem CID25382967
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H34N6O2/c1-16-8-11-24(12-9-16)15-18-20-21-22-25(18)10-5-7-19(26)23(2)14-17-6-3-4-13-27-17/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyRDYROTHOPMWPJH-KRWDZBQOSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide (CID 25382967) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCCO2)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide?
The InChIKey is RDYROTHOPMWPJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-16-8-11-24(12-9-16)15-18-20-21-22-25(18)10-5-7-19(26)23(2)14-17-6-3-4-13-27-17/h16-17H,3-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide has a molecular weight of 378.52 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide is sourced from PubChem (CID 25382967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).