N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

C17H28N4O2 — CID 128686368

IUPACN-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
SMILESCCc1nccn1C1CCCN(C(=O)NC2CCOC2(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-4-15-18-8-10-21(15)13-6-5-9-20(12-13)16(22)19-14-7-11-23-17(14,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,19,22)
InChIKeyHWTJAGQBIAYRCR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.36
Rot. Bonds3

About N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 128686368) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
PubChem CID128686368
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
SMILESCCc1nccn1C1CCCN(C(=O)NC2CCOC2(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-4-15-18-8-10-21(15)13-6-5-9-20(12-13)16(22)19-14-7-11-23-17(14,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,19,22)
InChIKeyHWTJAGQBIAYRCR-UHFFFAOYSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
N-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459851
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45501909
N-cyclopentyl-N'-(2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56742077
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536761
N-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 77086954
2-cyclopentyloxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772132
2-(3-methylbutoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide (CID 128686368) is N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide is CCc1nccn1C1CCCN(C(=O)NC2CCOC2(C)C)C1.
What is the InChIKey of N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is HWTJAGQBIAYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-15-18-8-10-21(15)13-6-5-9-20(12-13)16(22)19-14-7-11-23-17(14,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide?
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128686368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).