3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C22H30N4O — CID 96579022

IUPAC3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCC[C@H](c2nccn2Cc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C22H30N4O/c27-21(25-13-4-5-14-25)10-15-24-12-6-9-20(18-24)22-23-11-16-26(22)17-19-7-2-1-3-8-19/h1-3,7-8,11,16,20H,4-6,9-10,12-15,17-18H2/t20-/m0/s1
InChIKeyWLNDHZSIUJWBEQ-FQEVSTJZSA-N
MW366.51 g/mol
LogP3.12
Rot. Bonds6

About 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 96579022) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID96579022
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCC[C@H](c2nccn2Cc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C22H30N4O/c27-21(25-13-4-5-14-25)10-15-24-12-6-9-20(18-24)22-23-11-16-26(22)17-19-7-2-1-3-8-19/h1-3,7-8,11,16,20H,4-6,9-10,12-15,17-18H2/t20-/m0/s1
InChIKeyWLNDHZSIUJWBEQ-FQEVSTJZSA-N
XLogP3.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
3-pyrazol-1-yl-1-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72915772
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 96579022) is 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCC[C@H](c2nccn2Cc2ccccc2)C1)N1CCCC1.
What is the InChIKey of 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WLNDHZSIUJWBEQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21(25-13-4-5-14-25)10-15-24-12-6-9-20(18-24)22-23-11-16-26(22)17-19-7-2-1-3-8-19/h1-3,7-8,11,16,20H,4-6,9-10,12-15,17-18H2/t20-/m0/s1.
What are the key properties of 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 96579022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).