4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

C23H28FN3O2 — CID 91913268

IUPAC4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-6-2-5-9-21(17)26-23(29)27-14-11-18(12-15-27)10-13-25-22(28)16-19-7-3-4-8-20(19)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyNLRMUGUJNQRFAR-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.13
Rot. Bonds6

About 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 91913268) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID91913268
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c1-17-6-2-5-9-21(17)26-23(29)27-14-11-18(12-15-27)10-13-25-22(28)16-19-7-3-4-8-20(19)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyNLRMUGUJNQRFAR-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913260
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110722984

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 91913268) is 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(CCNC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NLRMUGUJNQRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-6-2-5-9-21(17)26-23(29)27-14-11-18(12-15-27)10-13-25-22(28)16-19-7-3-4-8-20(19)24/h2-9,18H,10-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91913268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).