2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C23H29FN4O3 — CID 78897328

IUPAC2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3/c1-16(20-5-3-4-6-21(20)31-2)25-22(29)15-28-13-11-19(12-14-28)27-23(30)26-18-9-7-17(24)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyVYUVSISDOUDUQZ-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.30
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 78897328) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID78897328
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3/c1-16(20-5-3-4-6-21(20)31-2)25-22(29)15-28-13-11-19(12-14-28)27-23(30)26-18-9-7-17(24)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyVYUVSISDOUDUQZ-UHFFFAOYSA-N
XLogP3.30
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 112820092
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
2-[4-[(3-acetylphenyl)carbamoylamino]piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3856225
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 51127813
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 126789735
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 78897328) is 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is VYUVSISDOUDUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-16(20-5-3-4-6-21(20)31-2)25-22(29)15-28-13-11-19(12-14-28)27-23(30)26-18-9-7-17(24)8-10-18/h3-10,16,19H,11-15H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 78897328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).