[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C18H31N5O — CID 97200492

IUPAC[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCCn1ccnc1[C@@H]1CCCN(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C18H31N5O/c1-3-4-8-21-10-7-19-17(21)16-6-5-9-23(15-16)18(24)22-13-11-20(2)12-14-22/h7,10,16H,3-6,8-9,11-15H2,1-2H3/t16-/m1/s1
InChIKeyDTQUBKQAXSSSAJ-MRXNPFEDSA-N
MW333.48 g/mol
LogP2.23
Rot. Bonds4

About [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97200492) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97200492
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCCn1ccnc1[C@@H]1CCCN(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C18H31N5O/c1-3-4-8-21-10-7-19-17(21)16-6-5-9-23(15-16)18(24)22-13-11-20(2)12-14-22/h7,10,16H,3-6,8-9,11-15H2,1-2H3/t16-/m1/s1
InChIKeyDTQUBKQAXSSSAJ-MRXNPFEDSA-N
XLogP2.23
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 72933365
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 97195616
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 97200492) is [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CCCCn1ccnc1[C@@H]1CCCN(C(=O)N2CCN(C)CC2)C1.
What is the InChIKey of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DTQUBKQAXSSSAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-4-8-21-10-7-19-17(21)16-6-5-9-23(15-16)18(24)22-13-11-20(2)12-14-22/h7,10,16H,3-6,8-9,11-15H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 333.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97200492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).