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

C17H21N5O — CID 70728553

IUPAC[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H21N5O/c23-17(15-11-18-5-6-19-15)21-8-3-14(4-9-21)16-20-7-10-22(16)12-13-1-2-13/h5-7,10-11,13-14H,1-4,8-9,12H2
InChIKeySLQXTEALKUNKJN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.10
Rot. Bonds4

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

[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 70728553) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID70728553
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H21N5O/c23-17(15-11-18-5-6-19-15)21-8-3-14(4-9-21)16-20-7-10-22(16)12-13-1-2-13/h5-7,10-11,13-14H,1-4,8-9,12H2
InChIKeySLQXTEALKUNKJN-UHFFFAOYSA-N
XLogP2.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 70728553) is [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is SLQXTEALKUNKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(15-11-18-5-6-19-15)21-8-3-14(4-9-21)16-20-7-10-22(16)12-13-1-2-13/h5-7,10-11,13-14H,1-4,8-9,12H2.
What are the key properties of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 70728553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).