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

C17H28N8O — CID 42530283

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCc2nccn2C)CC1
InChIInChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)13-16-20-21-22-25(16)8-3-4-17(26)19-12-15-18-7-11-23(15)2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,19,26)
InChIKeyOBMKXSILFAUEFL-UHFFFAOYSA-N
MW360.47 g/mol
LogP0.74
Rot. Bonds8

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

N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 42530283) has the molecular formula C17H28N8O and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID42530283
Molecular FormulaC17H28N8O
Molecular Weight360.47 g/mol
Exact Mass360.24
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCc2nccn2C)CC1
InChIInChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)13-16-20-21-22-25(16)8-3-4-17(26)19-12-15-18-7-11-23(15)2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,19,26)
InChIKeyOBMKXSILFAUEFL-UHFFFAOYSA-N
XLogP0.74
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide
CID 56786966
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
3-(1H-imidazol-2-yl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70763873
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71880820
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149987
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}methyl)-2,2-dimethylpropanamide
CID 56742435

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 42530283) is N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCc2nccn2C)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is OBMKXSILFAUEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)13-16-20-21-22-25(16)8-3-4-17(26)19-12-15-18-7-11-23(15)2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,19,26).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 360.47 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 42530283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).