[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone

C16H23N3O3 — CID 70763247

IUPAC[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C16H23N3O3/c1-18-8-6-17-15(18)14(20)13-3-2-7-19(11-13)16(21)12-4-9-22-10-5-12/h6,8,12-13H,2-5,7,9-11H2,1H3
InChIKeyCOBVDPFEZMSSAN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds3

About [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone

[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 70763247) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID70763247
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C16H23N3O3/c1-18-8-6-17-15(18)14(20)13-3-2-7-19(11-13)16(21)12-4-9-22-10-5-12/h6,8,12-13H,2-5,7,9-11H2,1H3
InChIKeyCOBVDPFEZMSSAN-UHFFFAOYSA-N
XLogP1.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72872719
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
3-Ethoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
CID 155935176
4-(3-{1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 26398231
4-(3-{1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 42593095
8-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-1-oxa-8-azaspiro[4.5]decane
CID 56872776
2-[(2-ethyl-1H-imidazol-1-yl)acetyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72885977
1-{2-[3-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}-2-piperidinone
CID 72919997
N-(cyclohexylmethyl)-3-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidine-1-carboxamide
CID 119074321
1-(2-Methoxyethoxy)-7-(1-methyl-1H-imidazole-2-carbonyl)-7-azaspiro[3.5]nonane
CID 124045461
(3S)-4-(2-methoxyethyl)-1-[(2S)-4-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685682
(3S)-4-(2-methoxyethyl)-1-[4-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685684

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 70763247) is [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone is Cn1ccnc1C(=O)C1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is COBVDPFEZMSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-8-6-17-15(18)14(20)13-3-2-7-19(11-13)16(21)12-4-9-22-10-5-12/h6,8,12-13H,2-5,7,9-11H2,1H3.
What are the key properties of [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 70763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).