2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide

C19H30FN3O — CID 131930881

IUPAC2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N(C)CC
InChIInChI=1S/C19H30FN3O/c1-4-18(22(3)5-2)19(24)21-17-10-12-23(13-11-17)14-15-6-8-16(20)9-7-15/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyCKHSEZUSFYJDTA-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.64
Rot. Bonds7

About 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide

2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide (PubChem CID 131930881) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
PubChem CID131930881
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N(C)CC
InChIInChI=1S/C19H30FN3O/c1-4-18(22(3)5-2)19(24)21-17-10-12-23(13-11-17)14-15-6-8-16(20)9-7-15/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyCKHSEZUSFYJDTA-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
CID 75373599
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
2-[[(butan-2-ylamino)-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039276
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide (CID 131930881) is 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide is CCC(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide?
The InChIKey is CKHSEZUSFYJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-4-18(22(3)5-2)19(24)21-17-10-12-23(13-11-17)14-15-6-8-16(20)9-7-15/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,21,24).
What are the key properties of 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide?
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide has a molecular weight of 335.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 131930881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).