4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide

C21H30FN3O2 — CID 29084805

IUPAC4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H30FN3O2/c1-24-13-10-19(11-14-24)25-12-2-3-18(15-25)23-21(27)9-8-20(26)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyONRUQDWDCVZYQL-GOSISDBHSA-N
MW375.49 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide (PubChem CID 29084805) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
PubChem CID29084805
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H30FN3O2/c1-24-13-10-19(11-14-24)25-12-2-3-18(15-25)23-21(27)9-8-20(26)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyONRUQDWDCVZYQL-GOSISDBHSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 29000981
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide (CID 29084805) is 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide is CN1CCC(N2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
The InChIKey is ONRUQDWDCVZYQL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-24-13-10-19(11-14-24)25-12-2-3-18(15-25)23-21(27)9-8-20(26)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide has a molecular weight of 375.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide is sourced from PubChem (CID 29084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).