1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C16H27N3O2 — CID 71866795

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCOCC1CCN(C(=O)CCn2ccnc2C(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-13(2)16-17-7-11-19(16)10-6-15(20)18-8-4-14(5-9-18)12-21-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3
InChIKeySMDVZIGTLDPFQS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 71866795) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID71866795
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCOCC1CCN(C(=O)CCn2ccnc2C(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-13(2)16-17-7-11-19(16)10-6-15(20)18-8-4-14(5-9-18)12-21-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3
InChIKeySMDVZIGTLDPFQS-UHFFFAOYSA-N
XLogP2.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-[(3S,4S)-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidin-3-yl]methanone
CID 124052074
US10030012, Example 11
CID 78318801
1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
(3S*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(hydroxymethyl)-3-piperidinol
CID 56912514
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine
CID 70744783
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
2-methoxyethyl 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinecarboxylate
CID 70775664
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 71866795) is 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is COCC1CCN(C(=O)CCn2ccnc2C(C)C)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is SMDVZIGTLDPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)16-17-7-11-19(16)10-6-15(20)18-8-4-14(5-9-18)12-21-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 71866795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).