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

C25H34FN5O — CID 171539907

IUPAC2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(N2CCCCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C25H34FN5O/c26-20-6-4-8-22(14-20)31-13-5-7-21(18-31)29-24-15-23(30-11-2-1-3-12-30)10-9-19(24)17-28-25(32)16-27/h4,6,8-10,14-15,21,29H,1-3,5,7,11-13,16-18,27H2,(H,28,32)/t21-/m1/s1
InChIKeyQQOVULVUUWGRGI-OAQYLSRUSA-N
MW439.58 g/mol
LogP3.47
Rot. Bonds7

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

2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide (PubChem CID 171539907) has the molecular formula C25H34FN5O and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide
PubChem CID171539907
Molecular FormulaC25H34FN5O
Molecular Weight439.58 g/mol
Exact Mass439.27
IUPAC Name2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(N2CCCCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C25H34FN5O/c26-20-6-4-8-22(14-20)31-13-5-7-21(18-31)29-24-15-23(30-11-2-1-3-12-30)10-9-19(24)17-28-25(32)16-27/h4,6,8-10,14-15,21,29H,1-3,5,7,11-13,16-18,27H2,(H,28,32)/t21-/m1/s1
InChIKeyQQOVULVUUWGRGI-OAQYLSRUSA-N
XLogP3.47
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide with MolForge

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Related Compounds

4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
3-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-5-piperidin-1-ylbenzonitrile
CID 171539572
(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine
CID 171540083
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
1-(3-fluorophenyl)-5-[[4-[3-[1-[2-[[1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-2-pyridinyl]amino]piperidine-3-carboxamide
CID 171540106
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide (CID 171539907) is 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide is NCC(=O)NCc1ccc(N2CCCCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide?
The InChIKey is QQOVULVUUWGRGI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H34FN5O/c26-20-6-4-8-22(14-20)31-13-5-7-21(18-31)29-24-15-23(30-11-2-1-3-12-30)10-9-19(24)17-28-25(32)16-27/h4,6,8-10,14-15,21,29H,1-3,5,7,11-13,16-18,27H2,(H,28,32)/t21-/m1/s1.
What are the key properties of 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide?
2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide has a molecular weight of 439.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide is sourced from PubChem (CID 171539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).