N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C20H34N6O2 — CID 42462514

IUPACN-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(CC2CCC2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H34N6O2/c1-16-7-9-24(10-8-16)14-19-21-22-23-26(19)15-20(27)25(12-17-4-2-5-17)13-18-6-3-11-28-18/h16-18H,2-15H2,1H3/t18-/m1/s1
InChIKeyYMRRNVLGIASNHQ-GOSISDBHSA-N
MW390.53 g/mol
LogP1.71
Rot. Bonds8

About N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 42462514) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID42462514
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC NameN-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(CC2CCC2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H34N6O2/c1-16-7-9-24(10-8-16)14-19-21-22-23-26(19)15-20(27)25(12-17-4-2-5-17)13-18-6-3-11-28-18/h16-18H,2-15H2,1H3/t18-/m1/s1
InChIKeyYMRRNVLGIASNHQ-GOSISDBHSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
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-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 42462514) is N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CC1CCN(Cc2nnnn2CC(=O)N(CC2CCC2)C[C@H]2CCCO2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is YMRRNVLGIASNHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-16-7-9-24(10-8-16)14-19-21-22-23-26(19)15-20(27)25(12-17-4-2-5-17)13-18-6-3-11-28-18/h16-18H,2-15H2,1H3/t18-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 390.53 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-(cyclobutylmethyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 42462514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).