N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C15H28N6O2 — CID 45200711

IUPACN-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCC(COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C15H28N6O2/c1-4-13(11-23-3)16-15(22)10-21-14(17-18-19-21)9-20-7-5-12(2)6-8-20/h12-13H,4-11H2,1-3H3,(H,16,22)
InChIKeyBXURZKVASIIHNH-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.45
Rot. Bonds8

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

N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 45200711) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID45200711
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC NameN-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCC(COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C15H28N6O2/c1-4-13(11-23-3)16-15(22)10-21-14(17-18-19-21)9-20-7-5-12(2)6-8-20/h12-13H,4-11H2,1-3H3,(H,16,22)
InChIKeyBXURZKVASIIHNH-UHFFFAOYSA-N
XLogP0.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 72901532
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
CID 30936842
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]amino]-4-methylsulfanylbutanoate
CID 45211270
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 86908514
N-(1,1-dioxothian-4-yl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 72874641
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[1-(cyclohexen-1-yl)ethyl]acetamide
CID 72855711
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 26394254
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 42241219
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 26336170
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 45200711) is N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CCC(COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is BXURZKVASIIHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-4-13(11-23-3)16-15(22)10-21-14(17-18-19-21)9-20-7-5-12(2)6-8-20/h12-13H,4-11H2,1-3H3,(H,16,22).
What are the key properties of N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 45200711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).