N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide

C19H28FN3O3 — CID 78902359

IUPACN-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O3/c1-26-12-2-9-21-18(24)14-23-10-7-16(8-11-23)19(25)22-13-15-3-5-17(20)6-4-15/h3-6,16H,2,7-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQUWZKSVDPTUJJA-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.31
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 78902359) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID78902359
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O3/c1-26-12-2-9-21-18(24)14-23-10-7-16(8-11-23)19(25)22-13-15-3-5-17(20)6-4-15/h3-6,16H,2,7-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQUWZKSVDPTUJJA-UHFFFAOYSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55518026
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 78902359) is N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide is COCCCNC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is QUWZKSVDPTUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-26-12-2-9-21-18(24)14-23-10-7-16(8-11-23)19(25)22-13-15-3-5-17(20)6-4-15/h3-6,16H,2,7-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 78902359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).