1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C16H26N4O — CID 50982171

IUPAC1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]cnc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C16H26N4O/c1-13-15(18-12-17-13)11-20-8-3-2-5-14(20)7-10-19-9-4-6-16(19)21/h12,14H,2-11H2,1H3,(H,17,18)
InChIKeyCMVCUGQEEHGMAV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 50982171) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID50982171
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]cnc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C16H26N4O/c1-13-15(18-12-17-13)11-20-8-3-2-5-14(20)7-10-19-9-4-6-16(19)21/h12,14H,2-11H2,1H3,(H,17,18)
InChIKeyCMVCUGQEEHGMAV-UHFFFAOYSA-N
XLogP2.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 50982171) is 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1[nH]cnc1CN1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CMVCUGQEEHGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-15(18-12-17-13)11-20-8-3-2-5-14(20)7-10-19-9-4-6-16(19)21/h12,14H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 50982171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).