N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide

C24H30FN3O3 — CID 112838670

IUPACN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
SMILESCC(C)CCOC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(2)11-14-31-22-9-12-28(13-10-22)24(30)27-20-7-3-5-18(15-20)23(29)26-21-8-4-6-19(25)16-21/h3-8,15-17,22H,9-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRYBZNXLLQVPNMZ-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.14
Rot. Bonds7

About N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide (PubChem CID 112838670) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
PubChem CID112838670
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
SMILESCC(C)CCOC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(2)11-14-31-22-9-12-28(13-10-22)24(30)27-20-7-3-5-18(15-20)23(29)26-21-8-4-6-19(25)16-21/h3-8,15-17,22H,9-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRYBZNXLLQVPNMZ-UHFFFAOYSA-N
XLogP5.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 136530045
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 131949645
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838502
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
4-(3-methylbutoxy)-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 86793332
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 119740426
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
N-[3-(tert-butylcarbamoyl)phenyl]-4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 55820059

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide (CID 112838670) is N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide is CC(C)CCOC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1.
What is the InChIKey of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
The InChIKey is RYBZNXLLQVPNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-17(2)11-14-31-22-9-12-28(13-10-22)24(30)27-20-7-3-5-18(15-20)23(29)26-21-8-4-6-19(25)16-21/h3-8,15-17,22H,9-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide?
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide is sourced from PubChem (CID 112838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).