N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide

C26H35N5O3 — CID 55548209

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H35N5O3/c1-19(2)24(30-26(34)27-17-20-9-5-3-6-10-20)25(33)29-22-13-15-31(16-14-22)18-23(32)28-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3,(H,28,32)(H,29,33)(H2,27,30,34)
InChIKeyQGLVHHCGDWKEKC-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.73
Rot. Bonds9

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide (PubChem CID 55548209) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
PubChem CID55548209
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H35N5O3/c1-19(2)24(30-26(34)27-17-20-9-5-3-6-10-20)25(33)29-22-13-15-31(16-14-22)18-23(32)28-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3,(H,28,32)(H,29,33)(H2,27,30,34)
InChIKeyQGLVHHCGDWKEKC-UHFFFAOYSA-N
XLogP2.73
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
N-[(2S)-1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 42013988
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
2-[4-[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]piperidin-1-yl]-N-phenylacetamide
CID 78880245
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
CID 55639339
N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
CID 55744540

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide (CID 55548209) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide is CC(C)C(NC(=O)NCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide?
The InChIKey is QGLVHHCGDWKEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-19(2)24(30-26(34)27-17-20-9-5-3-6-10-20)25(33)29-22-13-15-31(16-14-22)18-23(32)28-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3,(H,28,32)(H,29,33)(H2,27,30,34).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide has a molecular weight of 465.60 g/mol, XLogP of 2.73, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 55548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).