N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide

C19H28FN3O2 — CID 23723218

IUPACN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(N)=O
InChIInChI=1S/C19H28FN3O2/c1-22(19(25)9-8-18(21)24)13-16-3-2-11-23(14-16)12-10-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3,(H2,21,24)
InChIKeyBUVRGNXNLPTRKE-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.80
Rot. Bonds8

About N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide

N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide (PubChem CID 23723218) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
PubChem CID23723218
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(N)=O
InChIInChI=1S/C19H28FN3O2/c1-22(19(25)9-8-18(21)24)13-16-3-2-11-23(14-16)12-10-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3,(H2,21,24)
InChIKeyBUVRGNXNLPTRKE-UHFFFAOYSA-N
XLogP1.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 45191583
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932
3-(2,4-dimethylphenyl)-1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 26400867
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 45175404

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide?
The IUPAC name of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide (CID 23723218) is N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide.
What is the SMILES notation for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide?
The canonical SMILES for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide is CN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCC(N)=O.
What is the InChIKey of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide?
The InChIKey is BUVRGNXNLPTRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22(19(25)9-8-18(21)24)13-16-3-2-11-23(14-16)12-10-15-4-6-17(20)7-5-15/h4-7,16H,2-3,8-14H2,1H3,(H2,21,24).
What are the key properties of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide?
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide has a molecular weight of 349.45 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide is sourced from PubChem (CID 23723218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).