N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide

C20H30N6O2 — CID 110092567

IUPACN-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N1CCC(c2cc(CN(C)C(C)=O)n(C)n2)CC1
InChIInChI=1S/C20H30N6O2/c1-5-19-21-8-11-26(19)14-20(28)25-9-6-16(7-10-25)18-12-17(24(4)22-18)13-23(3)15(2)27/h8,11-12,16H,5-7,9-10,13-14H2,1-4H3
InChIKeyPEWGRKHLBLKWRE-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.56
Rot. Bonds6

About N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide

N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide (PubChem CID 110092567) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide
PubChem CID110092567
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N1CCC(c2cc(CN(C)C(C)=O)n(C)n2)CC1
InChIInChI=1S/C20H30N6O2/c1-5-19-21-8-11-26(19)14-20(28)25-9-6-16(7-10-25)18-12-17(24(4)22-18)13-23(3)15(2)27/h8,11-12,16H,5-7,9-10,13-14H2,1-4H3
InChIKeyPEWGRKHLBLKWRE-UHFFFAOYSA-N
XLogP1.56
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
CID 92624514
1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one
CID 92624487
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 110259661
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95198121
3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92617351
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110092565
2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
CID 56916459

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide (CID 110092567) is N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide is CCc1nccn1CC(=O)N1CCC(c2cc(CN(C)C(C)=O)n(C)n2)CC1.
What is the InChIKey of N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is PEWGRKHLBLKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-19-21-8-11-26(19)14-20(28)25-9-6-16(7-10-25)18-12-17(24(4)22-18)13-23(3)15(2)27/h8,11-12,16H,5-7,9-10,13-14H2,1-4H3.
What are the key properties of N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide?
N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 386.50 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 110092567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).