1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide

C25H30FN3O3 — CID 137455203

IUPAC1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)Nc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C25H30FN3O3/c1-18(30)29-14-6-5-9-23(29)25(31)27-19-10-11-24(22(26)17-19)32-21-12-15-28(16-13-21)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21,23H,5-6,9,12-16H2,1H3,(H,27,31)
InChIKeyDUNQMRUKBNBOAN-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.21
Rot. Bonds5

About 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide

1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide (PubChem CID 137455203) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide
PubChem CID137455203
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)Nc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C25H30FN3O3/c1-18(30)29-14-6-5-9-23(29)25(31)27-19-10-11-24(22(26)17-19)32-21-12-15-28(16-13-21)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21,23H,5-6,9,12-16H2,1H3,(H,27,31)
InChIKeyDUNQMRUKBNBOAN-UHFFFAOYSA-N
XLogP4.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-N-[3-chloro-4-[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]piperidine-2-carboxamide
CID 137455293
1-acetyl-N-[3-chloro-4-[1-(2-fluoro-4-methylphenyl)piperidin-4-yl]oxyphenyl]piperidine-2-carboxamide
CID 137455224
(2R)-1-acetyl-N-[3-chloro-4-[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]oxyphenyl]piperidine-2-carboxamide
CID 137455285
3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
CID 137455233
N-[3-chloro-4-[1-(3-cyanophenyl)piperidin-4-yl]oxyphenyl]-1-methylpiperidine-2-carboxamide
CID 137455060
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 87026032
1-[2-(3-fluoro-4-methoxyphenyl)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 47022865
2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-phenylpropanamide
CID 120593524
(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
CID 97244740
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
(2R)-1-acetyl-N-(8-chloro-1'-phenylspiro[chromene-2,4'-piperidine]-6-yl)piperidine-2-carboxamide
CID 142522194
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide (CID 137455203) is 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)Nc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide?
The InChIKey is DUNQMRUKBNBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-18(30)29-14-6-5-9-23(29)25(31)27-19-10-11-24(22(26)17-19)32-21-12-15-28(16-13-21)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21,23H,5-6,9,12-16H2,1H3,(H,27,31).
What are the key properties of 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide?
1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide is sourced from PubChem (CID 137455203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).