1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone

C18H23N5O — CID 70784999

IUPAC1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C18H23N5O/c24-17(11-16-12-19-5-6-20-16)22-8-3-15(4-9-22)18-21-7-10-23(18)13-14-1-2-14/h5-7,10,12,14-15H,1-4,8-9,11,13H2
InChIKeyIFDXGRVPYSPLII-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone (PubChem CID 70784999) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone
PubChem CID70784999
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C18H23N5O/c24-17(11-16-12-19-5-6-20-16)22-8-3-15(4-9-22)18-21-7-10-23(18)13-14-1-2-14/h5-7,10,12,14-15H,1-4,8-9,11,13H2
InChIKeyIFDXGRVPYSPLII-UHFFFAOYSA-N
XLogP2.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone (CID 70784999) is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone is O=C(Cc1cnccn1)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone?
The InChIKey is IFDXGRVPYSPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(11-16-12-19-5-6-20-16)22-8-3-15(4-9-22)18-21-7-10-23(18)13-14-1-2-14/h5-7,10,12,14-15H,1-4,8-9,11,13H2.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone?
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone has a molecular weight of 325.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone is sourced from PubChem (CID 70784999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).