N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide

C19H35N7O2 — CID 26399976

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cnnn1
InChIInChI=1S/C19H35N7O2/c1-3-24-8-4-5-18(24)14-25(19(27)15-26-16-20-21-22-26)13-17-6-9-23(10-7-17)11-12-28-2/h16-18H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyXURLPXDWFGMCTG-SFHVURJKSA-N
MW393.54 g/mol
LogP0.34
Rot. Bonds10

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 26399976) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID26399976
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cnnn1
InChIInChI=1S/C19H35N7O2/c1-3-24-8-4-5-18(24)14-25(19(27)15-26-16-20-21-22-26)13-17-6-9-23(10-7-17)11-12-28-2/h16-18H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyXURLPXDWFGMCTG-SFHVURJKSA-N
XLogP0.34
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 26399976) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide is CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cnnn1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is XURLPXDWFGMCTG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35N7O2/c1-3-24-8-4-5-18(24)14-25(19(27)15-26-16-20-21-22-26)13-17-6-9-23(10-7-17)11-12-28-2/h16-18H,3-15H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 393.54 g/mol, XLogP of 0.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 26399976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).