N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C22H27F2N3O — CID 8639280

IUPACN-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H27F2N3O/c1-16(18-7-8-20(23)21(24)13-18)25-14-22(28)26-19-9-11-27(12-10-19)15-17-5-3-2-4-6-17/h2-8,13,16,19,25H,9-12,14-15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyXTGHYDMBJNLMDR-INIZCTEOSA-N
MW387.47 g/mol
LogP3.40
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 8639280) has the molecular formula C22H27F2N3O and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID8639280
Molecular FormulaC22H27F2N3O
Molecular Weight387.47 g/mol
Exact Mass387.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H27F2N3O/c1-16(18-7-8-20(23)21(24)13-18)25-14-22(28)26-19-9-11-27(12-10-19)15-17-5-3-2-4-6-17/h2-8,13,16,19,25H,9-12,14-15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyXTGHYDMBJNLMDR-INIZCTEOSA-N
XLogP3.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methyl-1-phenylpropyl)urea
CID 60543923
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25495715
N-(1-benzylpiperidin-4-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756626
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 71709557
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9377036

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 8639280) is N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is XTGHYDMBJNLMDR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27F2N3O/c1-16(18-7-8-20(23)21(24)13-18)25-14-22(28)26-19-9-11-27(12-10-19)15-17-5-3-2-4-6-17/h2-8,13,16,19,25H,9-12,14-15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 387.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 8639280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).