2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C21H30FN3O2 — CID 87014867

IUPAC2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN(C)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FN3O2/c1-16-4-3-11-25(14-16)21(27)17-9-12-24(13-10-17)20(26)15-23(2)19-7-5-18(22)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyPHJKFKQNUNHZFV-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 87014867) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID87014867
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN(C)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FN3O2/c1-16-4-3-11-25(14-16)21(27)17-9-12-24(13-10-17)20(26)15-23(2)19-7-5-18(22)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyPHJKFKQNUNHZFV-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657443
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 87014867) is 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC1CCCN(C(=O)C2CCN(C(=O)CN(C)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is PHJKFKQNUNHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-16-4-3-11-25(14-16)21(27)17-9-12-24(13-10-17)20(26)15-23(2)19-7-5-18(22)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3.
What are the key properties of 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 375.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87014867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).