2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

C23H27F2N3O — CID 59161883

IUPAC2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC(N(Cc2cccc(F)c2)C2CC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O/c24-18-4-6-20(7-5-18)26-23(29)16-27-12-10-22(11-13-27)28(21-8-9-21)15-17-2-1-3-19(25)14-17/h1-7,14,21-22H,8-13,15-16H2,(H,26,29)
InChIKeyKVSUPFGBRXLCKB-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.03
Rot. Bonds7

About 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 59161883) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID59161883
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC(N(Cc2cccc(F)c2)C2CC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O/c24-18-4-6-20(7-5-18)26-23(29)16-27-12-10-22(11-13-27)28(21-8-9-21)15-17-2-1-3-19(25)14-17/h1-7,14,21-22H,8-13,15-16H2,(H,26,29)
InChIKeyKVSUPFGBRXLCKB-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(3-fluorophenyl)-2-[4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433653
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
CID 69100448

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 59161883) is 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCC(N(Cc2cccc(F)c2)C2CC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is KVSUPFGBRXLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c24-18-4-6-20(7-5-18)26-23(29)16-27-12-10-22(11-13-27)28(21-8-9-21)15-17-2-1-3-19(25)14-17/h1-7,14,21-22H,8-13,15-16H2,(H,26,29).
What are the key properties of 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 59161883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).