1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

C17H25N3O2 — CID 95885912

IUPAC1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-14-18-9-12-20(14)17(16(21)22)7-10-19(11-8-17)13-15-5-3-2-4-6-15/h2-3,9,12,15H,4-8,10-11,13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyCNDOGILBRNYAQE-OAHLLOKOSA-N
MW303.41 g/mol
LogP2.42
Rot. Bonds4

About 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 95885912) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
PubChem CID95885912
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-14-18-9-12-20(14)17(16(21)22)7-10-19(11-8-17)13-15-5-3-2-4-6-15/h2-3,9,12,15H,4-8,10-11,13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyCNDOGILBRNYAQE-OAHLLOKOSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 95896346
4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
CID 56909166
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56883865
N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
CID 129331110
[1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 42511894
1-[4-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 7440820
[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 97273723
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56913872
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
9-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895455

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (CID 95885912) is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is Cc1nccn1C1(C(=O)O)CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is CNDOGILBRNYAQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-18-9-12-20(14)17(16(21)22)7-10-19(11-8-17)13-15-5-3-2-4-6-15/h2-3,9,12,15H,4-8,10-11,13H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 95885912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).