1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C14H21N7O — CID 95606683

IUPAC1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)c1nccn1[C@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C14H21N7O/c1-11(2)14-15-5-7-21(14)12-4-3-6-19(8-12)13(22)9-20-10-16-17-18-20/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyHOHLJASZISMTRG-LBPRGKRZSA-N
MW303.37 g/mol
LogP0.86
Rot. Bonds4

About 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 95606683) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID95606683
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)c1nccn1[C@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C14H21N7O/c1-11(2)14-15-5-7-21(14)12-4-3-6-19(8-12)13(22)9-20-10-16-17-18-20/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyHOHLJASZISMTRG-LBPRGKRZSA-N
XLogP0.86
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95736318
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 95736354
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95343040
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 95606683) is 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC(C)c1nccn1[C@H]1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is HOHLJASZISMTRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N7O/c1-11(2)14-15-5-7-21(14)12-4-3-6-19(8-12)13(22)9-20-10-16-17-18-20/h5,7,10-12H,3-4,6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 303.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 95606683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).