2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide

C18H26F2N4O2 — CID 136524638

IUPAC2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N4O2/c1-12(13-4-5-15(19)16(20)10-13)21-18(26)22-14-6-8-24(9-7-14)11-17(25)23(2)3/h4-5,10,12,14H,6-9,11H2,1-3H3,(H2,21,22,26)
InChIKeyLPFBGDCTKFPCKK-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 136524638) has the molecular formula C18H26F2N4O2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID136524638
Molecular FormulaC18H26F2N4O2
Molecular Weight368.43 g/mol
Exact Mass368.20
IUPAC Name2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N4O2/c1-12(13-4-5-15(19)16(20)10-13)21-18(26)22-14-6-8-24(9-7-14)11-17(25)23(2)3/h4-5,10,12,14H,6-9,11H2,1-3H3,(H2,21,22,26)
InChIKeyLPFBGDCTKFPCKK-UHFFFAOYSA-N
XLogP1.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71924034
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 126774275
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
2-[4-[1-(3-bromophenyl)ethylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 55629444
1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide (CID 136524638) is 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide is CC(NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LPFBGDCTKFPCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O2/c1-12(13-4-5-15(19)16(20)10-13)21-18(26)22-14-6-8-24(9-7-14)11-17(25)23(2)3/h4-5,10,12,14H,6-9,11H2,1-3H3,(H2,21,22,26).
What are the key properties of 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 368.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 136524638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).