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

C19H31N9O — CID 42517825

IUPAC1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(Cc3nccn3C)CC2)CC1
InChIInChI=1S/C19H31N9O/c1-16-3-6-25(7-4-16)14-18-21-22-23-28(18)15-19(29)27-11-9-26(10-12-27)13-17-20-5-8-24(17)2/h5,8,16H,3-4,6-7,9-15H2,1-2H3
InChIKeyHCWIMLTYUSEDJZ-UHFFFAOYSA-N
MW401.52 g/mol
LogP-0.02
Rot. Bonds6

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

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 42517825) has the molecular formula C19H31N9O and a molecular weight of 401.52 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
PubChem CID42517825
Molecular FormulaC19H31N9O
Molecular Weight401.52 g/mol
Exact Mass401.27
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(Cc3nccn3C)CC2)CC1
InChIInChI=1S/C19H31N9O/c1-16-3-6-25(7-4-16)14-18-21-22-23-28(18)15-19(29)27-11-9-26(10-12-27)13-17-20-5-8-24(17)2/h5,8,16H,3-4,6-7,9-15H2,1-2H3
InChIKeyHCWIMLTYUSEDJZ-UHFFFAOYSA-N
XLogP-0.02
TPSA88.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
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
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(1-methylimidazol-2-yl)methanone
CID 97402617
1-[(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]cyclopropanamine
CID 72851669
[3-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-3-oxopropyl]amine dihydrochloride
CID 72893405
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidine
CID 72926642
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
N-[3-(1H-imidazol-1-yl)propyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42197612
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72851930

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 42517825) is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCN(Cc3nccn3C)CC2)CC1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The InChIKey is HCWIMLTYUSEDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N9O/c1-16-3-6-25(7-4-16)14-18-21-22-23-28(18)15-19(29)27-11-9-26(10-12-27)13-17-20-5-8-24(17)2/h5,8,16H,3-4,6-7,9-15H2,1-2H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 401.52 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 42517825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).