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

C16H25N3O2 — CID 72937922

IUPAC1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-21-12-15(20)18-8-5-14(6-9-18)16-17-7-10-19(16)11-13-3-4-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3
InChIKeyHWVMOXWZUKOPJL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.04
Rot. Bonds6

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

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone (PubChem CID 72937922) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone
PubChem CID72937922
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-21-12-15(20)18-8-5-14(6-9-18)16-17-7-10-19(16)11-13-3-4-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3
InChIKeyHWVMOXWZUKOPJL-UHFFFAOYSA-N
XLogP2.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone (CID 72937922) is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone?
The InChIKey is HWVMOXWZUKOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-12-15(20)18-8-5-14(6-9-18)16-17-7-10-19(16)11-13-3-4-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone?
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone has a molecular weight of 291.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 72937922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).