1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone

C19H28N6O — CID 126437249

IUPAC1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H28N6O/c26-19(14-25-10-5-18(22-25)17-2-1-6-20-12-17)24-8-3-16(4-9-24)13-23-11-7-21-15-23/h5,7,10-11,15-17,20H,1-4,6,8-9,12-14H2/t17-/m1/s1
InChIKeyQUUYHMLQWBPNLF-QGZVFWFLSA-N
MW356.47 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone

1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone (PubChem CID 126437249) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
PubChem CID126437249
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H28N6O/c26-19(14-25-10-5-18(22-25)17-2-1-6-20-12-17)24-8-3-16(4-9-24)13-23-11-7-21-15-23/h5,7,10-11,15-17,20H,1-4,6,8-9,12-14H2/t17-/m1/s1
InChIKeyQUUYHMLQWBPNLF-QGZVFWFLSA-N
XLogP1.49
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone with MolForge

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Related Compounds

1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride
CID 154905187
1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
CID 119067951
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 126429176
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126451796
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 126436811
N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 154908443
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone (CID 126437249) is 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone is O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The InChIKey is QUUYHMLQWBPNLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N6O/c26-19(14-25-10-5-18(22-25)17-2-1-6-20-12-17)24-8-3-16(4-9-24)13-23-11-7-21-15-23/h5,7,10-11,15-17,20H,1-4,6,8-9,12-14H2/t17-/m1/s1.
What are the key properties of 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 126437249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).