1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

C21H34N8O — CID 45244060

IUPAC1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C21H34N8O/c1-17-6-11-26(12-7-17)15-20-23-24-25-29(20)16-21(30)28-10-4-3-5-19(28)8-13-27-14-9-22-18(27)2/h9,14,17,19H,3-8,10-13,15-16H2,1-2H3
InChIKeyIBJGOAOBIAKETB-UHFFFAOYSA-N
MW414.56 g/mol
LogP1.88
Rot. Bonds7

About 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 45244060) has the molecular formula C21H34N8O and a molecular weight of 414.56 g/mol. Its IUPAC name is 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
PubChem CID45244060
Molecular FormulaC21H34N8O
Molecular Weight414.56 g/mol
Exact Mass414.29
IUPAC Name1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C21H34N8O/c1-17-6-11-26(12-7-17)15-20-23-24-25-29(20)16-21(30)28-10-4-3-5-19(28)8-13-27-14-9-22-18(27)2/h9,14,17,19H,3-8,10-13,15-16H2,1-2H3
InChIKeyIBJGOAOBIAKETB-UHFFFAOYSA-N
XLogP1.88
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 42517825
1-({4-methyl-5-[1-(1H-1,2,3-triazol-1-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)azepane
CID 72842358
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 164637368
N-[3-(1H-imidazol-1-yl)propyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42197612
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 25274053
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42289435
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 42530283
N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 45195700
4-{[1-(2-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}-2-oxoethyl)-1H-tetrazol-5-yl]methyl}morpholine
CID 45248495
2-(2-Methyl-1H-imidazol-1-YL)-1-{2-[2-(piperidin-1-YL)ethyl]piperidin-1-YL}ethan-1-one
CID 53193457

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 45244060) is 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is Cc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The InChIKey is IBJGOAOBIAKETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N8O/c1-17-6-11-26(12-7-17)15-20-23-24-25-29(20)16-21(30)28-10-4-3-5-19(28)8-13-27-14-9-22-18(27)2/h9,14,17,19H,3-8,10-13,15-16H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 414.56 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 45244060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).