N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

C20H28FN3O3 — CID 134051297

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1F
InChIInChI=1S/C20H28FN3O3/c1-15-4-5-16(11-18(15)21)12-22-19(25)14-23-6-2-3-17(13-23)20(26)24-7-9-27-10-8-24/h4-5,11,17H,2-3,6-10,12-14H2,1H3,(H,22,25)
InChIKeyDPEHSMJOOLAJLP-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.32
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (PubChem CID 134051297) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
PubChem CID134051297
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1F
InChIInChI=1S/C20H28FN3O3/c1-15-4-5-16(11-18(15)21)12-22-19(25)14-23-6-2-3-17(13-23)20(26)24-7-9-27-10-8-24/h4-5,11,17H,2-3,6-10,12-14H2,1H3,(H,22,25)
InChIKeyDPEHSMJOOLAJLP-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 61297426
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119925543
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119927422
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874067
N-(2-ethylphenyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55501528

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide (CID 134051297) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is Cc1ccc(CNC(=O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is DPEHSMJOOLAJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-15-4-5-16(11-18(15)21)12-22-19(25)14-23-6-2-3-17(13-23)20(26)24-7-9-27-10-8-24/h4-5,11,17H,2-3,6-10,12-14H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 134051297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).