[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone

C18H27N3O2 — CID 164638541

IUPAC[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESCc1cnc(C2CC2)n1CC1CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C18H27N3O2/c1-13-10-19-17(15-2-3-15)21(13)11-14-4-7-20(8-5-14)18(22)16-6-9-23-12-16/h10,14-16H,2-9,11-12H2,1H3/t16-/m0/s1
InChIKeySXCIPZYUIPBFJL-INIZCTEOSA-N
MW317.43 g/mol
LogP2.34
Rot. Bonds4

About [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone

[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone (PubChem CID 164638541) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
PubChem CID164638541
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESCc1cnc(C2CC2)n1CC1CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C18H27N3O2/c1-13-10-19-17(15-2-3-15)21(13)11-14-4-7-20(8-5-14)18(22)16-6-9-23-12-16/h10,14-16H,2-9,11-12H2,1H3/t16-/m0/s1
InChIKeySXCIPZYUIPBFJL-INIZCTEOSA-N
XLogP2.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The IUPAC name of [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone (CID 164638541) is [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The canonical SMILES for [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone is Cc1cnc(C2CC2)n1CC1CCN(C(=O)[C@H]2CCOC2)CC1.
What is the InChIKey of [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The InChIKey is SXCIPZYUIPBFJL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-10-19-17(15-2-3-15)21(13)11-14-4-7-20(8-5-14)18(22)16-6-9-23-12-16/h10,14-16H,2-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone is sourced from PubChem (CID 164638541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).