4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one

C17H25N5O — CID 110106597

IUPAC4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCc1cn[nH]c1CC1CCCN(C(=O)CCCn2ccnc2)C1
InChIInChI=1S/C17H25N5O/c1-14-11-19-20-16(14)10-15-4-2-8-22(12-15)17(23)5-3-7-21-9-6-18-13-21/h6,9,11,13,15H,2-5,7-8,10,12H2,1H3,(H,19,20)
InChIKeyBJIUTLNVQDYGIX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.18
Rot. Bonds6

About 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one

4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 110106597) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID110106597
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCc1cn[nH]c1CC1CCCN(C(=O)CCCn2ccnc2)C1
InChIInChI=1S/C17H25N5O/c1-14-11-19-20-16(14)10-15-4-2-8-22(12-15)17(23)5-3-7-21-9-6-18-13-21/h6,9,11,13,15H,2-5,7-8,10,12H2,1H3,(H,19,20)
InChIKeyBJIUTLNVQDYGIX-UHFFFAOYSA-N
XLogP2.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
CID 124980416
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 124978226
3-(benzotriazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125006402
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110106586
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one (CID 110106597) is 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one is Cc1cn[nH]c1CC1CCCN(C(=O)CCCn2ccnc2)C1.
What is the InChIKey of 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is BJIUTLNVQDYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-11-19-20-16(14)10-15-4-2-8-22(12-15)17(23)5-3-7-21-9-6-18-13-21/h6,9,11,13,15H,2-5,7-8,10,12H2,1H3,(H,19,20).
What are the key properties of 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110106597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).