(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium

C23H32N3OSY- — CID 59414031

IUPAC(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium
SMILESC[CH-]NC(=O)[C@H](CC(C)C)Nc1cscc1-c1ccc(N2CCCCC2)cc1.[Y]
InChIInChI=1S/C23H32N3OS.Y/c1-4-24-23(27)21(14-17(2)3)25-22-16-28-15-20(22)18-8-10-19(11-9-18)26-12-6-5-7-13-26;/h4,8-11,15-17,21,25H,5-7,12-14H2,1-3H3,(H,24,27);/q-1;/t21-;/m0./s1
InChIKeyRQYCKINBDVDFCZ-BOXHHOBZSA-N
MW487.50 g/mol
LogP5.53
Rot. Bonds8

About (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium

(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium (PubChem CID 59414031) has the molecular formula C23H32N3OSY- and a molecular weight of 487.50 g/mol. Its IUPAC name is (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium.

Molecular Properties

Compound Name(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium
PubChem CID59414031
Molecular FormulaC23H32N3OSY-
Molecular Weight487.50 g/mol
Exact Mass487.13
IUPAC Name(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium
SMILESC[CH-]NC(=O)[C@H](CC(C)C)Nc1cscc1-c1ccc(N2CCCCC2)cc1.[Y]
InChIInChI=1S/C23H32N3OS.Y/c1-4-24-23(27)21(14-17(2)3)25-22-16-28-15-20(22)18-8-10-19(11-9-18)26-12-6-5-7-13-26;/h4,8-11,15-17,21,25H,5-7,12-14H2,1-3H3,(H,24,27);/q-1;/t21-;/m0./s1
InChIKeyRQYCKINBDVDFCZ-BOXHHOBZSA-N
XLogP5.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(cyanomethyl)-2-[[4-(4-cyanophenyl)thiophen-3-yl]amino]-4-methylpentanamide
CID 87715780
(2S)-N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide
CID 87715440
(2S)-N-(cyanomethyl)-4-methyl-2-[[4-(3-propan-2-yloxyphenyl)thiophen-3-yl]amino]pentanamide
CID 87716088
N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)-1H-pyrazol-5-yl]amino]pentanamide
CID 22235768
N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)-1,2-oxazol-4-yl]amino]pentanamide
CID 22235795
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium?
The IUPAC name of (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium (CID 59414031) is (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium.
What is the SMILES notation for (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium?
The canonical SMILES for (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium is C[CH-]NC(=O)[C@H](CC(C)C)Nc1cscc1-c1ccc(N2CCCCC2)cc1.[Y].
What is the InChIKey of (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium?
The InChIKey is RQYCKINBDVDFCZ-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H32N3OS.Y/c1-4-24-23(27)21(14-17(2)3)25-22-16-28-15-20(22)18-8-10-19(11-9-18)26-12-6-5-7-13-26;/h4,8-11,15-17,21,25H,5-7,12-14H2,1-3H3,(H,24,27);/q-1;/t21-;/m0./s1.
What are the key properties of (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium?
(2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium has a molecular weight of 487.50 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-4-methyl-2-[[4-(4-piperidin-1-ylphenyl)thiophen-3-yl]amino]pentanamide;yttrium is sourced from PubChem (CID 59414031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).